Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ACHE | P22303 | 7/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 4/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12653919 | 0.98 | NOS3 (0.42) | NOS3NOS1NOS2NR4A2EHMT2 | |
| SCHEMBL10268953 | 0.97 | EHMT2 (0.43) | NOS3NOS1NOS2NR4A2EHMT2 | |
| SCHEMBL12653921 | 0.82 | NOS3 (0.46) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL801640 | 0.81 | EHMT2 (0.40) | NOS3NOS1NOS2EHMT2NPC1 | |
| SCHEMBL14393794 | 0.81 | NOS3 (0.44) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL802005 | 0.80 | EHMT2 (0.39) | NOS3NOS1NOS2EHMT2NPC1 | |
| SCHEMBL14164059 | 0.79 | NOS3 (0.42) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL802288 | 0.78 | EHMT2 (0.43) | NOS3NOS1NOS2EHMT2NPC1 | |
| SCHEMBL5053536 | 0.76 | CYP1A2 (0.45) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL29621658 | 0.75 | NOS3 (0.64) | NOS3NOS1NOS2NPC1RAB9A |
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-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-22 | — | — | US | disclosed |
| US-20100256170-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-07 | — | — | US | disclosed |
| US-7390815-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-06-24 | — | — | 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-20100256170-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | GSK3B, CDK3, GSK3A | NOS3 715/4885NOS1 2264/4885NOS2 1597/4885 |
| US-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | GSK3B, GSK3A, CDK19 | NOS3 836/4885NOS1 2443/4885NOS2 2918/4885 |
“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.