Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | IGF1R | P08069 | 7/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | PLK4 | O00444 | 1/20 | 0.32 |
| ▸ | PAK4 | O96013 | 1/20 | 0.32 |
| ▸ | MAT2A | P31153 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL805609 | 0.88 | ALDH1A1 (0.34) | ALDH1A1NPC1RAB9ASMN1; SMN2IGF1R | |
| SCHEMBL12620332 | 0.86 | ALDH1A1 (0.33) | ALDH1A1NPC1RAB9ASMN1; SMN2IGF1R | |
| SCHEMBL801496 | 0.76 | FADS1 (0.41) | ALDH1A1NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL802834 | 0.68 | ACP1 (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2IGF1R | |
| SCHEMBL802234 | 0.67 | CYP1A2 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL801829 | 0.67 | ADORA3 (0.39) | ALDH1A1IGF1RCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL802439 | 0.67 | CYP1A2 (0.53) | ALDH1A1NPC1RAB9ASMN1; SMN2IGF1R | |
| SCHEMBL802458 | 0.67 | CYP1A2 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL802416 | 0.67 | USP1 (0.41) | ALDH1A1SMN1; SMN2IGF1RCYP1A2CYP3A4 | |
| SCHEMBL12653472 | 0.65 | FADS1 (0.38) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6 |
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 3 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 |
| US-7473691-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-01-06 | — | — | 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 | ALDH1A1 4768/4885NPC1 2844/4885RAB9A 638/4885 |
“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.