Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4220098 | 0.88 | ALDH1A1 (0.47) | ALDH1A1KDM4ETDP1S1PR2S1PR1 | |
| SCHEMBL6683403 | 0.88 | ALDH1A1 (0.45) | ALDH1A1KDM4ETDP1S1PR2S1PR1 | |
| SCHEMBL1302718 | 0.88 | ALDH1A1 (0.45) | ALDH1A1KDM4ETDP1S1PR2S1PR1 | |
| SCHEMBL1303637 | 0.87 | ALDH1A1 (0.44) | ALDH1A1KDM4ETDP1S1PR2S1PR1 | |
| SCHEMBL6682162 | 0.80 | L3MBTL1 (0.49) | ALDH1A1KDM4ETDP1LMNAL3MBTL1 | |
| SCHEMBL1303526 | 0.79 | GAA (0.47) | ALDH1A1KDM4ETDP1LMNAL3MBTL1 | |
| SCHEMBL1302538 | 0.79 | ALDH1A1 (0.47) | ALDH1A1KDM4ETDP1S1PR2S1PR1 | |
| SCHEMBL6643777 | 0.76 | ALDH1A1 (0.41) | ALDH1A1KDM4ETDP1S1PR2S1PR1 | |
| SCHEMBL1302652 | 0.76 | ALDH1A1 (0.40) | ALDH1A1KDM4ETDP1L3MBTL1USP2 | |
| SCHEMBL6684938 | 0.76 | ALDH1A1 (0.40) | ALDH1A1KDM4ETDP1L3MBTL1USP2 |
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-2004062661-A1 | 2-‘5-(5-CARBAMIMIDOYL-1H-HETEROARYL)-6-HYDROXYBIPHENYL-3-YL!- CARBOXYLIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-07-29 | — | — | WO | disclosed |