Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
| ▸ | TPH1 | P17752 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.30 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.30 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL6957311 | 0.82 | ALDH1A1 (0.31) | P2RX3ALDH1A1CA1CA2CA4 | |
| SCHEMBL6957315 | 0.80 | CA1 (0.31) | ALDH1A1CA1CA2CA4CA9 | |
| SCHEMBL6955247 | 0.70 | MAPT (0.44) | ALDH1A1 | |
| SCHEMBL6951661 | 0.70 | PPARA (0.41) | — | |
| SCHEMBL6952423 | 0.70 | PPARG (0.34) | ALDH1A1 | |
| SCHEMBL6947291 | 0.68 | DRD2 (0.36) | CYP3A4CYP2C9TPH1 | |
| SCHEMBL6957166 | 0.67 | PARP1 (0.36) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL10748039 | 0.64 | SIGMAR1 (0.56) | CA1CA9HDAC3HDAC4HDAC1 | |
| SCHEMBL990139 | 0.64 | SIGMAR1 (0.56) | CA1CA9HDAC3HDAC4HDAC1 | |
| SCHEMBL12118797 | 0.63 | ATM (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0903343-B1 | Alpha-Substituted phenylpropionic acid derivative and medicine containing the same | SSP CO LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| EP-0903343-A1 | Alpha-Substituted phenylpropionic acid derivative and medicine containing the same | SSP Co., Ltd. (JP) | 1999-03-24 | — | — | EP | disclosed |