Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | CDK5 | Q00535 | 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 | |
|---|---|---|---|---|
| SCHEMBL13767970 | 0.79 | TP53 (0.44) | TP53TSHRALDH1A1HPGD | |
| SCHEMBL11929163 | 0.78 | ALDH1A1 (0.42) | ALDH1A1HPGDALOX5 | |
| SCHEMBL5174394 | 0.78 | TP53 (0.43) | TP53TSHRALDH1A1HPGD | |
| SCHEMBL19679946 | 0.73 | ALOX5 (0.39) | ALOX5 | |
| SCHEMBL2737323 | 0.71 | WRN (0.41) | TP53TSHRALDH1A1HPGDALOX5 | |
| SCHEMBL13981501 | 0.70 | CYP2E1 (0.41) | ALOX5 | |
| SCHEMBL5114694 | 0.70 | MEN1 (0.42) | ALDH1A1HPGDALOX5 | |
| SCHEMBL18460974 | 0.69 | TAAR1 (0.42) | ALDH1A1ALOX5 | |
| SCHEMBL12216578 | 0.68 | CYP2C19 (0.52) | TP53TSHRALDH1A1HPGD | |
| SCHEMBL5513978 | 0.68 | HPGD (0.46) | ALDH1A1HPGDALOX5CCNE1CDK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458705-B1 | THIOPHENE DERIVATIVES AND THEIR USE AS FRAGRANTS | FLEXITRAL INC (US) | 2009-07-22 | — | — | EP | disclosed |
| US-7342042-B2 | Lily of the valley aromachemicals | FLEXITRAL, INC. (US) | 2008-03-11 | — | — | US | disclosed |
| US-7342042-B2 | Lily of the valley aromachemicals | FLEXITRAL, INC. (US) | 2008-03-11 | — | — | US | disclosed |