Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Rifabutin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 4/20 | 0.70 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.70 |
| ▸ | ABCC4 | O15439 | 3/20 | 0.70 |
| ▸ | ABCC2 | Q92887 | 3/20 | 0.70 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.70 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.70 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 4/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.68 |
| ▸ | TSHR | P16473 | 2/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | POLB | P06746 | 1/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.68 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.57 |
| ▸ | SLCO2B1 | O94956 | 2/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.57 |
| ▸ | SLCO1A2 | P46721 | 2/20 | 0.57 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Rifabutin SCHEMBL154848 | 0.99 | ABCB11 (0.69) | ABCB11CHRM1ABCC4ABCC2PTGS1 | |
| Rifabutin SCHEMBL138130 | 0.98 | ABCB11 (0.72) | ABCB11CHRM1ABCC4ABCC2PTGS1 | |
| Rifabutin SCHEMBL17705915 | 0.98 | ABCB11 (0.72) | ABCB11CHRM1ABCC4ABCC2PTGS1 | |
| Rifabutin SCHEMBL28325467 | 0.98 | ABCB11 (0.72) | ABCB11CHRM1ABCC4ABCC2PTGS1 | |
| Rifabutin SCHEMBL41044 | 0.98 | ABCB11 (0.72) | ABCB11CHRM1ABCC4ABCC2PTGS1 | |
| Rifabutin SCHEMBL23106966 | 0.98 | ABCB11 (0.72) | ABCB11CHRM1ABCC4ABCC2PTGS1 | |
| Rifabutin SCHEMBL36044 | 0.98 | ABCB11 (0.72) | ABCB11CHRM1ABCC4ABCC2PTGS1 | |
| Rifabutin SCHEMBL1813946 | 0.98 | ABCB11 (0.72) | ABCB11CHRM1ABCC4ABCC2PTGS1 | |
| Rifabutin SCHEMBL36043 | 0.98 | ABCB11 (0.72) | ABCB11CHRM1ABCC4ABCC2PTGS1 | |
| Rifabutin SCHEMBL7778399 | 0.96 | ABCB11 (0.70) | ABCB11CHRM1ABCC4ABCC2PTGS1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101677991-A | hydroquinone ansamycin formulations | INFINITY DISCOVERY INC | 2010-03-24 | — | — | CN | claimed |
| EP-2134338-A1 | HYDROQUINONE ANSAMYCIN FORMULATIONS | Infinity Discovery, Inc. (US) | 2009-12-23 | — | — | EP | claimed |
| EP-1904057-B1 | HYDROQUINONE ANSAMYCINS IN THE TREATMENT OF GASTROINTESTINAL STROMAL TUMORS | INFINITY DISCOVERY INC (US) | 2009-12-16 | — | — | EP | claimed |
| WO-2008128063-A1 | HYDROQUINONE ANSAMYCIN FORMULATIONS | INFINITY DISCOVERY, INC. (US) | 2008-10-23 | — | — | WO | claimed |
| US-20080255080-A1 | Hydroquinone Ansamycin Formulations | INFINITY PHARMACEUTICALS, INC. | 2008-10-16 | — | — | US | claimed |
| EP-1904057-A2 | METHODS OF TREATMENT USING HYDROQUINONE ANSAMYCINS | Infinity Discovery, Inc. (US) | 2008-04-02 | — | — | EP | claimed |
| WO-2007009007-A2 | METHODS OF TREATMENT USING HYDROQUINONE ANSAMYCINS | INFINITY DISCOVERY, INC. (US) | 2007-01-18 | — | — | WO | claimed |
| US-20060019941-A1 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2006-01-26 | — | — | US | claimed |
| CN-110526912-B | Heteroaryl compounds for kinase inhibition | 武田药品工业株式会社 | 2023-02-14 | — | — | CN | disclosed |
| CN-106687457-B | Heteroaryl compounds for kinase inhibition | 阿里亚德医药股份有限公司 | 2020-01-10 | — | — | CN | disclosed |
| CN-106687457-A | Heteroaryl compounds for kinase inhibition | 阿里亚德医药股份有限公司 | 2017-05-17 | — | — | CN | disclosed |
| US-9603829-B2 | HSP90 inhibitors with modified toxicity | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2017-03-28 | — | — | US | disclosed |
| CN-103648499-B | Processes for preparing isoquinolinones and solid forms of isoquinolinones | 无限药品股份有限公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-103298474-B | Heterocyclic compound and application thereof | 无限药品股份有限公司 | 2016-06-29 | — | — | CN | disclosed |
| US-20060019939-A1 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. | 2006-01-26 | — | — | US | disclosed |
| US-20060019941-A1 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2006-01-26 | — | — | US | disclosed |
| US-20060014731-A1 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | ADAMS JULIAN | 2006-01-19 | — | — | US | disclosed |
| US-20050288269-A1 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | ADAMS JULIAN | 2005-12-29 | — | — | US | disclosed |
| US-20050227955-A1 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. | 2005-10-13 | — | — | US | disclosed |
| WO-2005063714-A1 | ANALOGS OF BENZOQUINONE-CONTAINING ANSAMYCINS FOR THE TREATMENT OF CANCER | INFINITY PHARMACEUTICALS, INC (US) | 2005-07-14 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060019939-A1 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | HSP90B1, CDC37, NPM1 | ABCB11 240/4885CHRM1 4662/4885ABCC4 1016/4885 |
| US-20060014731-A1 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | HSP90B1, CDC37, NPM1 | ABCB11 240/4885CHRM1 4662/4885ABCC4 1016/4885 |
| US-20060019941-A1 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | HSP90B1, CDC37, NPM1 | ABCB11 240/4885CHRM1 4662/4885ABCC4 1016/4885 |
| US-20050227955-A1 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | HSP90B1, CDC37, NPM1 | ABCB11 240/4885CHRM1 4662/4885ABCC4 1016/4885 |
| US-20050288269-A1 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | HSP90B1, CDC37, NPM1 | ABCB11 240/4885CHRM1 4662/4885ABCC4 1016/4885 |
| US-20080255080-A1 | Hydroquinone Ansamycin Formulations | HSP90B1, AAAS, NQO1 | ABCB11 70/4885CHRM1 4781/4885ABCC4 256/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.