Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14914212 | 0.83 | HMGCR (0.40) | CES1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL13433276 | 0.77 | TDP1 (0.36) | TSHRHMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL3697055 | 0.75 | HMGCR (0.41) | TSHRHMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL13433277 | 0.75 | MAPT (0.35) | HMGCRCHRM1TBXA2RADRA1AHTT | |
| SCHEMBL104505 | 0.73 | — | — | |
| SCHEMBL8874268 | 0.73 | CA4 (0.40) | CA4TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL4444683 | 0.73 | CES1 (0.36) | CES1CA4TSHRTHPOCA1 | |
| SCHEMBL17664603 | 0.73 | BLM (0.33) | TSHRHMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL1284011 | 0.73 | HMGCR (0.33) | TSHRHMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL4647346 | 0.73 | OR51E2 (0.38) | TSHRHMGCRCHRM1TBXA2RADRA1A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9856279-B2 | Therapeutically active compositions and their methods of use | AGIOS PHARMACEUTICALS, INC. (US) | 2018-01-02 | — | — | US | disclosed |
| US-20160229876-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE | SERVIER PHARMACEUTICALS LLC | 2016-08-11 | — | — | US | disclosed |
| US-20140256767-A1 | DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS | THE BROAD INSTITUTE, INC. (US) | 2014-09-11 | — | — | US | disclosed |
| US-20140213580-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC (US) | 2014-07-31 | — | — | US | disclosed |
| US-20110130406-A1 | PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2011-06-02 | — | — | US | disclosed |
| US-6790644-B2 | ISOLATED FROM ACINETOBACTER JOHNSONII, WHICH DECONTAMINATES/ METABOLIZES ACETYLACETONE | BIOCATALYTICS, INC. | 2004-09-14 | — | — | US | disclosed |
| US-20030148487-A1 | 1,3-dicarbonyl-dioxygenase - a new c-c-bond cleaving enzyme | CODEXIS, INC. | 2003-08-07 | — | — | US | 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 (5 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-20110130406-A1 | PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS | TYRO3, LCK, LTK | CES1 2602/4885CA4 3402/4885TSHR 637/4885 |
| US-20140213580-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE | RNASE1, TP53, MCL1 | CES1 1316/4885CA4 981/4885TSHR 4420/4885 |
| US-20140256767-A1 | DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS | KEAP1, NFE2L2, HMOX1 | CES1 1208/4885CA4 4445/4885TSHR 4696/4885 |
| US-20160229876-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE | MCL1, TP53, MMP8 | CES1 1769/4885CA4 1489/4885TSHR 4636/4885 |
| US-20030148487-A1 | 1,3-dicarbonyl-dioxygenase - a new c-c-bond cleaving enzyme | ALDH7A1, CMBL, DDO | CES1 139/4885CA4 635/4885TSHR 4811/4885 |
“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.