Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 4/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11679214 | 0.77 | ESR1 (0.39) | ALDH1A1ESR1PDCD1ESR2CD274 | |
| SCHEMBL1492629 | 0.73 | LMNA (0.38) | TYRPTGS1TRPA1CACNA1CHTT | |
| SCHEMBL1188027 | 0.73 | TYR (0.34) | TYRPTGS1TRPA1CACNA1CHTT | |
| SCHEMBL17262605 | 0.71 | TYR (0.33) | TYRPTGS1TRPA1CACNA1CHTT | |
| SCHEMBL191957 | 0.71 | TYR (0.38) | TYRHTTHIF1AALDH1A1CYP2C9 | |
| SCHEMBL2585466 | 0.71 | TYR (0.33) | TYRPTGS1TRPA1CACNA1CHTT | |
| SCHEMBL6392171 | 0.69 | — | — | |
| SCHEMBL162301 | 0.68 | ALDH1A1 (0.37) | TYRALDH1A1CA1CA2HPGD | |
| SCHEMBL7229461 | 0.68 | GABRA1 (0.47) | PTGS1TRPA1CACNA1CHTTHIF1A | |
| SCHEMBL17203715 | 0.68 | KMT2A (0.44) | ALDH1A1GAAMAPTCYP2D6TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117285451-A | Polysubstituted pyrrole compound and synthetic method and application thereof | 重庆文理学院 | 2023-12-26 | — | — | CN | claimed |
| US-20120184583-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-19 | — | — | US | claimed |
| US-20100144798-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-10 | — | — | US | claimed |
| EP-1601657-A1 | PYRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2005-12-07 | — | — | EP | claimed |
| US-20050113423-A1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2005-05-26 | — | — | US | claimed |
| WO-2004080972-A1 | PIRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-09-23 | — | — | WO | claimed |
| CN-117285451-A | Polysubstituted pyrrole compound and synthetic method and application thereof | 重庆文理学院 | 2023-12-26 | — | — | CN | disclosed |
| CN-114401952-A | Substituted cycloalkyl compounds as modulators of integrated stress pathways | 卡里科生命科学有限责任公司 | 2022-04-26 | — | — | CN | disclosed |
| US-20120184583-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-19 | — | — | US | disclosed |
| CN-1930006-B | Developer mixture for thermal recording materials and thermal recording materials | API CORP | 2010-12-08 | — | — | CN | disclosed |
| US-20100144798-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-10 | — | — | US | disclosed |
| CN-1930006-A | Developer mixture for thermal recording materials and thermal recording materials | API CORP (JP) | 2007-03-14 | — | — | CN | disclosed |
| EP-1601657-A1 | PYRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2005-12-07 | — | — | EP | disclosed |
| US-20050113423-A1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2005-05-26 | — | — | US | disclosed |
| WO-2004080972-A1 | PIRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-09-23 | — | — | 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 (3 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-20120184583-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | TYR 4882/4885PTGS1 1613/4885TRPA1 1061/4885 |
| US-20100144798-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | TYR 4882/4885PTGS1 1613/4885TRPA1 1061/4885 |
| US-20050113423-A1 | Modulators of ATP-binding cassette transporters | CFTR, ABCB1, ABCC2 | TYR 4882/4885PTGS1 1613/4885TRPA1 1061/4885 |
“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.