Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.72 |
| ▸ | LCK | P06239 | 1/20 | 0.72 |
| ▸ | FYN | P06241 | 1/20 | 0.72 |
| ▸ | GRB2 | P62993 | 1/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.65 |
| ▸ | GAA | P10253 | 4/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.65 |
| ▸ | GLA | P06280 | 3/20 | 0.65 |
| ▸ | HSD17B3 | P37058 | 12/20 | 0.64 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | CASP1 | P29466 | 2/20 | 0.52 |
| ▸ | CASP7 | P55210 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL723839 | 0.85 | LCK (0.76) | AKR1B1LCKFYNGRB2ALDH1A1 | |
| SCHEMBL29115101 | 0.84 | ALDH1A1 (0.70) | AKR1B1LCKFYNGRB2ALDH1A1 | |
| SCHEMBL263980 | 0.84 | AKR1B1 (1.00) | AKR1B1LCKFYNGRB2ALDH1A1 | |
| SCHEMBL1252272 | 0.83 | HSD17B3 (0.73) | AKR1B1LCKFYNGRB2ALDH1A1 | |
| SCHEMBL13840541 | 0.82 | AKR1B1 (0.76) | AKR1B1LCKFYNGRB2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3945070 | 0.82 | HSD17B3 (0.71) | AKR1B1LCKFYNGRB2ALDH1A1 | |
| SCHEMBL12433414 | 0.81 | HSD17B3 (0.73) | AKR1B1LCKFYNGRB2ALDH1A1 | |
| SCHEMBL10035521 | 0.80 | LCK (0.64) | AKR1B1LCKFYNGRB2ALDH1A1 | |
| SCHEMBL13839157 | 0.80 | AKR1B1 (0.72) | AKR1B1LCKFYNGRB2ALDH1A1 | |
| SCHEMBL12729968 | 0.79 | AKR1B1 (0.76) | AKR1B1LCKFYNGRB2ALDH1A1 |
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-20160003836-A1 | PHOTO OR CHEMOLABILE CONJUGATES FOR MOLECULES DETECTION | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2016-01-07 | — | — | US | disclosed |