Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 11/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.61 |
| ▸ | GAA | P10253 | 3/20 | 0.61 |
| ▸ | GLA | P06280 | 3/20 | 0.61 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.56 |
| ▸ | LCK | P06239 | 1/20 | 0.56 |
| ▸ | FYN | P06241 | 1/20 | 0.56 |
| ▸ | GRB2 | P62993 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL5138108 | 0.86 | HSD17B3 (1.00) | HSD17B3ALDH1A1KDM4EGAAGLA | |
| SCHEMBL7738289 | 0.86 | HSD17B3 (0.77) | HSD17B3ALDH1A1KDM4EGAAGLA | |
| SCHEMBL4696344 | 0.86 | HSD17B3 (0.54) | HSD17B3ALDH1A1KDM4EGAAGLA | |
| SCHEMBL8795371 | 0.85 | MCL1 (0.56) | HSD17B3ALDH1A1KDM4EGAAGLA | |
| SCHEMBL8795011 | 0.84 | HSD17B3 (0.52) | HSD17B3ALDH1A1KDM4EGAAGLA | |
| SCHEMBL9301272 | 0.82 | ALDH1A1 (0.58) | HSD17B3ALDH1A1KDM4EGAAGLA | |
| SCHEMBL3762732 | 0.78 | HSD17B3 (1.00) | HSD17B3ALDH1A1KDM4EGAAGLA | |
| SCHEMBL533173 | 0.76 | ALDH1A1 (1.00) | HSD17B3ALDH1A1KDM4EGAAGLA | |
| SCHEMBL4176874 | 0.75 | HSD17B3 (0.76) | HSD17B3ALDH1A1KDM4EGAAGLA | |
| SCHEMBL6999818 | 0.75 | HSD17B3 (0.78) | HSD17B3ALDH1A1KDM4EGAAGLA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5393516-A | Chlorhexidine digluconate, hydrogen fluoride, tin difluoride adduct; used for prevention of caries and antiseptic | IVOCLAR AG (DE) | 1995-02-28 | — | — | US | disclosed |
| US-5342970-A | Hydrosoluble coumarin derivatives, their preparation and their use as an enzyme substrate or for the preparation of such substrates | LABORATOIRES EUROBIO (FR) | 1994-08-30 | — | — | US | disclosed |
| EP-0541765-A1 | LASER DYES INCLUDING WATER-SOLUBLE COUMARIN DERIVATIVES. | EUROBIO LAB (FR) | 1993-05-19 | — | — | EP | disclosed |
| WO-1992022108-A1 | LASER DYES INCLUDING WATER-SOLUBLE COUMARIN DERIVATIVES | LABORATOIRES EUROBIO (FR) | 1992-12-10 | — | — | WO | disclosed |