Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FADS1 | O60427 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 4/20 | 0.39 |
| ▸ | AURKA | O14965 | 3/20 | 0.39 |
| ▸ | GSK3A | P49840 | 3/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TTK | P33981 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL801647 | 0.88 | GSK3A (0.48) | FADS1GSK3BAURKAGSK3AAURKB | |
| SCHEMBL802280 | 0.87 | FADS1 (0.42) | FADS1TRPA1GSK3BAURKAGSK3A | |
| SCHEMBL801642 | 0.86 | FADS1 (0.45) | FADS1TRPA1GSK3BGSK3AGRM4 | |
| SCHEMBL805527 | 0.84 | USP1 (0.43) | FADS1TRPA1GRM4AURKBCYP1A2 | |
| SCHEMBL801694 | 0.83 | VCP (0.43) | FADS1TRPA1GSK3BAURKAGSK3A | |
| SCHEMBL802027 | 0.83 | FADS1 (0.46) | FADS1TRPA1GSK3BAURKAGSK3A | |
| SCHEMBL801684 | 0.81 | EGFR (0.39) | FADS1TRPA1GSK3BAURKAGSK3A | |
| SCHEMBL802062 | 0.80 | CYP1A2 (0.43) | AURKASRCEGFRADRA2AALDH1A1 | |
| SCHEMBL801655 | 0.79 | GRM4 (0.44) | FADS1TRPA1GSK3BAURKAGSK3A | |
| SCHEMBL801650 | 0.79 | FADS1 (0.41) | FADS1TRPA1AURKAGRM4AURKB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8633210-B2 | Triazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-21 | — | — | US | disclosed |
| US-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-22 | — | — | 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 (1 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-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | GSK3B, GSK3A, CDK19 | FADS1 3442/4885TRPA1 4786/4885GSK3B 1/4885 |
“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.