Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8997899 | 1.00 | ALDH1A1 (0.41) | ALDH1A1MAPK1GSK3BTRPA1HIF1A | |
| SCHEMBL4631963 | 0.79 | GSK3B (0.38) | ALDH1A1MAPK1GSK3BTRPA1HIF1A | |
| SCHEMBL4631968 | 0.79 | GSK3B (0.38) | ALDH1A1MAPK1GSK3BTRPA1HIF1A | |
| SCHEMBL11411616 | 0.76 | MAPK1 (0.44) | ALDH1A1MAPK1GSK3BTRPA1HIF1A | |
| SCHEMBL7242171 | 0.76 | MTNR1A (0.47) | ALDH1A1MAPK1GSK3BTRPA1HIF1A | |
| SCHEMBL6268910 | 0.76 | DRD2 (0.38) | ALDH1A1MAPK1GSK3BPTPN1CES1 | |
| SCHEMBL10630432 | 0.74 | ALDH1A1 (0.43) | ALDH1A1MAPK1GSK3BTRPA1HIF1A | |
| SCHEMBL10630435 | 0.74 | ALDH1A1 (0.43) | ALDH1A1MAPK1GSK3BTRPA1HIF1A | |
| SCHEMBL10880294 | 0.74 | ALDH1A1 (0.43) | ALDH1A1MAPK1GSK3BTRPA1HIF1A | |
| SCHEMBL29210131 | 0.74 | GSK3B (0.43) | ALDH1A1MAPK1GSK3BTRPA1HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| US-5574030-A | INHIBITING URINARY CONTRACTION, HETEROCYCLIC DIAMINES | NIPPON CHEMIPHAR CO., LTD. (JP) | 1996-11-12 | — | — | US | disclosed |