Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 17/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 2/20 | 0.39 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.38 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.38 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL320090 | 0.85 | TGFBR1 (0.49) | TGFBR1CYP3A4CYP2C8KMOBMPR1A | |
| SCHEMBL31032681 | 0.79 | TGFBR1 (0.45) | TGFBR1CYP3A4CYP2C8KMOBMPR1A | |
| SCHEMBL319843 | 0.79 | TGFBR1 (0.48) | TGFBR1CYP3A4CYP2C8KMOBMPR1A | |
| SCHEMBL2596864 | 0.79 | TGFBR1 (0.45) | TGFBR1CYP3A4CYP2C8KMOBMPR1A | |
| SCHEMBL16488518 | 0.79 | NPC1 (0.51) | TGFBR1 | |
| SCHEMBL320555 | 0.76 | TGFBR1 (0.43) | TGFBR1CYP3A4CYP2C8KMOBMPR1A | |
| SCHEMBL28115227 | 0.75 | CCR1 (0.52) | TGFBR1CYP1A2LMNA | |
| SCHEMBL29901533 | 0.75 | CCR1 (0.52) | TGFBR1CYP1A2LMNA | |
| SCHEMBL22270329 | 0.73 | TGFBR1 (0.62) | TGFBR1CYP3A4CYP2C8 | |
| SCHEMBL320366 | 0.72 | EGFR (0.43) | TGFBR1CYP3A4CYP2C8BMPR1AACVR1B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2590946-B1 | Bipyridyl derivatives useful for the treatment of kinase-induced diseases | MERCK PATENT GMBH (DE) | 2015-02-18 | — | — | EP | disclosed |