Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | CTSC | P53634 | 4/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | GHSR | Q92847 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13681967 | 1.00 | TUBB1 (0.61) | TUBB1CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL57626 | 1.00 | TUBB1 (0.61) | TUBB1CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL13681966 | 1.00 | TUBB1 (0.61) | TUBB1CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL27400494 | 0.94 | TUBB1 (0.52) | TUBB1CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL88616 | 0.87 | TUBB1 (0.47) | TUBB1CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL13681965 | 0.87 | TUBB1 (0.47) | TUBB1CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL57429 | 0.87 | TUBB1 (0.47) | TUBB1CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL15434941 | 0.87 | TUBB1 (0.47) | TUBB1CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL57950 | 0.87 | TUBB1 (0.47) | TUBB1CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL17733995 | 0.87 | TUBB1 (0.47) | TUBB1CYP3A4CYP2D6CYP2C9TSHR |
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-2374454-A1 | Hemiasterlin derivatives and uses thereof in the treatment of cancer | Eisai R&D Management Co., Ltd. (JP) | 2011-10-12 | — | — | EP | disclosed |