Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.45 |
| ▸ | TSHR | P16473 | 9/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 3/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | KYNU | Q16719 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13827080 | 0.89 | KYNU (0.47) | CYP1A2CYP3A4TSHRALDH1A1CYP2C9 | |
| SCHEMBL18901812 | 0.88 | CYP1A2 (0.47) | CYP1A2CYP3A4TSHRALDH1A1CYP2C9 | |
| SCHEMBL18526739 | 0.87 | CYP3A4 (0.46) | CYP1A2CYP3A4TSHRALDH1A1CYP2C9 | |
| SCHEMBL754281 | 0.87 | CYP3A4 (0.46) | CYP1A2CYP3A4TSHRALDH1A1CYP2C9 | |
| SCHEMBL13827081 | 0.85 | CYP3A4 (0.47) | CYP1A2CYP3A4TSHRALDH1A1CYP2C9 | |
| SCHEMBL10211015 | 0.85 | CYP3A4 (0.47) | CYP1A2CYP3A4TSHRALDH1A1CYP2C9 | |
| SCHEMBL13827075 | 0.85 | CYP3A4 (0.47) | CYP1A2CYP3A4TSHRALDH1A1CYP2C9 | |
| SCHEMBL26662871 | 0.85 | CYP3A4 (0.49) | CYP1A2CYP3A4TSHRALDH1A1CYP2C9 | |
| SCHEMBL13209775 | 0.85 | KYNU (0.51) | CYP1A2CYP3A4TSHRALDH1A1CYP2C9 | |
| SCHEMBL18526738 | 0.84 | CYP3A4 (0.51) | CYP1A2CYP3A4TSHRALDH1A1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009089502-A1 | INHIBITORS OF IAP | GENENTECH, INC. (US) | 2009-07-16 | — | — | WO | disclosed |