Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | BID | P55957 | 3/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.36 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.36 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.36 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.36 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5511463 | 0.84 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP2C9LIPGALOX5 | |
| SCHEMBL6285466 | 0.83 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP2C9LIPGBID | |
| Hydrochloric Acid SCHEMBL11294295 | 0.83 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9LIPGALOX5 | |
| Charcoal, Activated SCHEMBL9345982 | 0.82 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9BIDMCL1 | |
| Hydrochloric Acid SCHEMBL5844867 | 0.81 | CYP3A4 (0.43) | CYP3A4CYP2D6CYP2C9LIPGALOX5 | |
| SCHEMBL1078217 | 0.79 | LIPG (0.51) | CYP3A4CYP2D6CYP2C9LIPGALOX5 | |
| SCHEMBL11813916 | 0.79 | BID (0.41) | BIDMCL1BCL2L1BAK1KAT8 | |
| SCHEMBL22736732 | 0.79 | BID (0.48) | CYP3A4LIPGALOX5PTGS2BID | |
| SCHEMBL27736781 | 0.79 | ALOX5 (0.54) | CYP3A4LIPGALOX5PTGS2BID | |
| SCHEMBL12475592 | 0.78 | BID (0.43) | CYP3A4CYP2D6CYP2C9LIPGALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004065305-A1 | NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE | UNIVERSITY OF DAYTON (US) | 2004-08-05 | — | — | WO | disclosed |
| WO-2003060192-A1 | NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT | UNIVERSITY OF DAYTON (US) | 2003-07-24 | — | — | WO | disclosed |
| WO-1995008540-A1 | BIS(AMIDINOBENZIMIDAZOLYL)ALKANES AS ANTIVIRAL AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-03-30 | — | — | WO | disclosed |