Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14534529 | 1.00 | CA1 (0.37) | CA1CA2CYP2D6CYP2C9TSHR | |
| SCHEMBL28876492 | 0.83 | CA1 (0.40) | CA1CA2CYP2D6CYP2C9TSHR | |
| SCHEMBL21295111 | 0.81 | CA1 (0.39) | CA1CA2TSHR | |
| SCHEMBL4414198 | 0.79 | CA1 (0.33) | CA1CA2 | |
| Hydrochloric Acid SCHEMBL19183023 | 0.78 | CA1 (0.32) | CA1CA2 | |
| SCHEMBL8743993 | 0.77 | CYP2D6 (0.33) | CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL21303933 | 0.77 | CETP (0.42) | — | |
| SCHEMBL21303936 | 0.77 | CETP (0.42) | — | |
| SCHEMBL277765 | 0.77 | CA1 (0.43) | CA1CA2TSHR | |
| SCHEMBL17469430 | 0.77 | CHRM1 (0.35) | CA2CYP2D6CYP2C9TSHRCYP2C19 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140080788-A1 | NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY | 2014-03-20 | — | — | US | claimed |
| US-8304403-B2 | Heterocyclic CETP inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-06 | — | — | US | claimed |
| CN-108912113-A | A kind of application of compound and its alternatively property PI3K inhibitor in the drug of preparation treatment tumour | 王延娇 | 2018-11-30 | — | — | CN | disclosed |
| EP-2702042-A1 | NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS | Bristol-Myers Squibb Company (US) | 2014-03-05 | — | — | EP | disclosed |
| WO-2012149236-A1 | NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-01 | — | — | WO | disclosed |
| US-7846959-B2 | Raf modulators and methods of use | EXELIXIS, INC. (US) | 2010-12-07 | — | — | US | disclosed |
| EP-1954668-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-08-13 | — | — | EP | disclosed |
| EP-1951673-A2 | HETEROCYCLIC CETP INHIBITORS | Bristol-Myers Squibb Company (US) | 2008-08-06 | — | — | EP | disclosed |
| US-20080009488-A1 | Raf Modulators and Methods of Use | EXELIXIS, INC. (US) | 2008-01-10 | — | — | US | disclosed |
| WO-2007062314-A2 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007062308-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |
| US-6369273-B1 | ARYL ALCOHOLS OR ESTERS FOR ELEVATION OF PYRUVATE DHYDROGENASE | ASTRAZENECA AB (SE) | 2002-04-09 | — | — | US | disclosed |
| EP-1059927-A1 | CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | AstraZeneca AB (SE) | 2000-12-20 | — | — | EP | disclosed |
| WO-1999044618-A1 | CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | ASTRAZENECA AB (SE) | 1999-09-10 | — | — | WO | disclosed |
| CN-1190954-A | Process for the preparation of (thio-) carbonic/carbamic acid 2-pyrrolidonyl-3-esters, thio esters and amides | ZENECA LTD (GB) | 1998-08-19 | — | — | CN | 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 (2 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-20080009488-A1 | Raf Modulators and Methods of Use | BRAF, RAF1, ARAF | CA1 3366/4885CA2 2119/4885CYP2D6 4450/4885 |
| US-20140080788-A1 | NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS | GRK5, GPBAR1, GPR55 | CA1 4822/4885CA2 3830/4885CYP2D6 1188/4885 |
“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.