Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | RAF1 | P04049 | 2/20 | 0.37 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5039132 | 0.91 | RAB9A (0.45) | HPGDCYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL5035877 | 0.88 | HPGD (0.43) | HPGDCYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL5041385 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5032567 | 0.87 | CYP3A4 (0.49) | CYP3A4CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL5035235 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5039136 | 0.85 | CYP3A4 (0.44) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5032569 | 0.82 | DPP4 (0.46) | HPGDCYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL5039367 | 0.81 | KDM4E (0.41) | CYP3A4RAB9AKDM4EL3MBTL1KMT2A | |
| SCHEMBL5036024 | 0.81 | ALDH1A1 (0.37) | CYP3A4RAB9AKDM4ETSHRKMT2A | |
| SCHEMBL5036077 | 0.79 | CYP3A4 (0.42) | CYP3A4CYP1A2CYP2C9CYP2C19RAB9A |
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-1694673-B1 | THIAZOLE DERIVATES | HOFFMANN LA ROCHE (CH) | 2008-01-16 | — | — | EP | claimed |