Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 7/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLA1 | P09884 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27403418 | 0.80 | HSP90AB1 (0.43) | HSP90AB1HSP90AA1KDM4EKMT2AMAPT | |
| SCHEMBL140640 | 0.77 | — | — | |
| SCHEMBL10619597 | 0.77 | CYP2D6 (0.40) | HSP90AB1HSP90AA1KDM4EKMT2AMAPT | |
| SCHEMBL20212171 | 0.71 | KDM4E (0.39) | HSP90AB1HSP90AA1KDM4EKMT2AMAPT | |
| SCHEMBL3187493 | 0.71 | GRM4 (0.66) | HSP90AB1HSP90AA1KDM4EKMT2AMAPT | |
| SCHEMBL3187486 | 0.71 | GRM4 (0.66) | HSP90AB1HSP90AA1KDM4EKMT2AMAPT | |
| SCHEMBL29364638 | 0.70 | — | — | |
| SCHEMBL654863 | 0.70 | — | — | |
| SCHEMBL20223056 | 0.70 | KDM4E (0.41) | HSP90AB1HSP90AA1KDM4EKMT2AMAPT | |
| SCHEMBL10617507 | 0.70 | HSP90AB1 (0.60) | HSP90AB1HSP90AA1KDM4EKMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1054871-A2 | PYRIMIDINES AND TRIAZINES AS INTEGRIN ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2000-11-29 | — | — | EP | disclosed |
| WO-1999050249-A2 | PYRIMIDINES AND TRIAZINES AS INTEGRIN ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-10-07 | — | — | WO | disclosed |