Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL785612 | 0.83 | PDE4B (0.52) | NPC1RAB9ASMN1; SMN2GSK3AGSK3B | |
| SCHEMBL786017 | 0.83 | CYP1A2 (0.61) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL801979 | 0.81 | AURKA (0.49) | HSD17B10GSK3AGSK3BMEN1KMT2A | |
| SCHEMBL802772 | 0.80 | GSK3A (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL786250 | 0.79 | ABCG2 (0.45) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL786350 | 0.78 | TRPA1 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL801766 | 0.76 | ALDH1A1 (0.43) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL2203605 | 0.76 | LMNA (0.35) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL12303152 | 0.75 | CYP1A2 (0.44) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL786578 | 0.75 | FADS1 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-22 | — | — | US | disclosed |
| US-7951820-B2 | Triazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-05-31 | — | — | US | disclosed |
| US-6660731-B2 | Alzheimer's disease; anticancer agents; antidiabetic agents | VERTEX PHARMACEUTICALS INCORPORATED | 2003-12-09 | — | — | US | disclosed |
| US-20030073687-A1 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2003-04-17 | — | — | 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 (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-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | GSK3B, GSK3A, CDK19 | ALDH1A1 4768/4885NPC1 2844/4885RAB9A 638/4885 |
| US-20030073687-A1 | Pyrazole compounds useful as protein kinase inhibitors | AURKC, AURKA, GSK3B | ALDH1A1 4219/4885NPC1 3189/4885RAB9A 2806/4885 |
“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.