Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18883696 | 0.83 | CYP1A2 (0.56) | PTGS2CYP1A2CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL11848917 | 0.82 | SLC6A2 (0.40) | PTGS2SLC6A2SLC6A4SLC6A3L3MBTL1 | |
| SCHEMBL6768095 | 0.81 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL29755650 | 0.80 | KDM4E (0.52) | CYP1A2CYP2C9CYP2C19L3MBTL1TDP1 | |
| SCHEMBL17911627 | 0.80 | KDM4E (0.52) | CYP1A2CYP2C9CYP2C19L3MBTL1TDP1 | |
| SCHEMBL22400198 | 0.79 | HSD17B10 (0.43) | SLC6A2SLC6A4SLC6A3L3MBTL1TDP1 | |
| SCHEMBL10458625 | 0.79 | KDM4E (0.41) | SLC6A2SLC6A4SLC6A3L3MBTL1TDP1 | |
| SCHEMBL7414992 | 0.79 | KDM4E (0.61) | CYP1A2CYP2C9CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL4314586 | 0.79 | ALDH1A1 (0.45) | SLC6A2SLC6A4SLC6A3L3MBTL1TDP1 | |
| SCHEMBL8876249 | 0.79 | SMN1; SMN2 (0.42) | SLC6A2SLC6A4SLC6A3L3MBTL1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5374772-A | Skin disorders, antiinflammatory agents, cardiovascular disorders | HOFFMANN-LAROCHE INC. (US) | 1994-12-20 | — | — | US | disclosed |
| EP-0601385-A1 | Disubstituted benzoic acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1994-06-15 | — | — | EP | disclosed |