Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 16/20 | 0.58 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | NT5E | P21589 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3625796 | 1.00 | KIF11 (0.58) | KIF11CASP3KCNH2NT5ELMNA | |
| SCHEMBL3846014 | 0.84 | KIF11 (0.78) | KIF11CASP3KCNH2NT5E | |
| SCHEMBL4271220 | 0.82 | KIF11 (0.53) | KIF11CASP3KCNH2NT5E | |
| SCHEMBL5672110 | 0.81 | KIF11 (0.44) | KIF11CASP3KCNH2NPC1ALDH1A1 | |
| SCHEMBL4482252 | 0.74 | KIF11 (0.48) | KIF11CASP3KCNH2NT5ELMNA | |
| SCHEMBL4480754 | 0.74 | KIF11 (0.48) | KIF11CASP3KCNH2NT5ELMNA | |
| SCHEMBL3624174 | 0.74 | KIF11 (1.00) | KIF11CASP3KCNH2NT5E | |
| SCHEMBL3474332 | 0.74 | MAOB (0.67) | KIF11CASP3KCNH2NPC1RAB9A | |
| SCHEMBL17151556 | 0.66 | KIF11 (1.00) | KIF11CASP3KCNH2 | |
| SCHEMBL3625650 | 0.66 | KIF11 (1.00) | KIF11CASP3KCNH2 |
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-7745639-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2010-06-29 | — | — | US | disclosed |
| US-7745639-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2010-06-29 | — | — | US | disclosed |
| EP-1492487-B1 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2009-11-11 | — | — | EP | disclosed |