Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | SELE | P16581 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7058862 | 0.72 | KDM4E (0.39) | KDM4EALDH1A1MAPTHPGDPPARG | |
| SCHEMBL29904691 | 0.72 | KDM4E (0.39) | KDM4EALDH1A1MAPTHPGDPPARG | |
| SCHEMBL14438006 | 0.72 | KDM4E (0.44) | CYP2A6KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL19117455 | 0.72 | KDM4E (0.39) | KDM4EALDH1A1MAPTHPGDPPARG | |
| SCHEMBL3980727 | 0.72 | KDM4E (0.39) | KDM4EALDH1A1MAPTHPGDPPARG | |
| SCHEMBL27692247 | 0.72 | CYP2A6 (0.42) | CYP2A6 | |
| Water SCHEMBL27273030 | 0.71 | KDM4E (0.38) | KDM4EALDH1A1MAPTHPGDPPARG | |
| SCHEMBL30430903 | 0.69 | ICAM1 (0.41) | CYP2A6KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL27687556 | 0.69 | ICAM1 (0.41) | CYP2A6KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL18237916 | 0.68 | KDM4E (0.38) | KDM4EALDH1A1MAPTHPGDPPARG |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103038233-A | Pyridone and azapyridone compounds and methods of use | GILEAD CONNECTICUT INC | 2013-04-10 | — | — | CN | claimed |
| CN-104125959-A | Heteroaryl pyridone and aza-pyridone compounds as inhibitors of BTK activity | HOFFMANN LA ROCHE | 2014-10-29 | — | — | CN | disclosed |