Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CDC42 | P60953 | 1/20 | 0.37 |
| ▸ | RAC1 | P63000 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11049075 | 0.85 | CYP1A2 (0.46) | CYP2A6CYP1A2KDM4EGSTP1PTGS2 | |
| SCHEMBL11723042 | 0.77 | CYP2A6 (0.52) | CYP2A6CYP1A2KDM4EGSTP1PTGS2 | |
| SCHEMBL5144913 | 0.75 | CYP2A6 (0.50) | CYP2A6CYP1A2KDM4EGSTP1HSD17B1 | |
| SCHEMBL9510748 | 0.74 | CYP2A6 (0.48) | CYP2A6CYP1A2KDM4EGSTP1HSD17B1 | |
| SCHEMBL2251771 | 0.74 | CYP1A2 (0.59) | CYP2A6CYP1A2ALDH1A1KDM4EHSD17B1 | |
| SCHEMBL7735652 | 0.71 | HSD17B1 (0.49) | CYP2A6CYP1A2KDM4EGSTP1HSD17B1 | |
| SCHEMBL27484296 | 0.71 | CYP17A1 (0.49) | CYP2A6CYP1A2ALDH1A1KDM4EPTGS2 | |
| SCHEMBL9616603 | 0.71 | ALDH1A1 (0.65) | CYP2A6CYP1A2ALDH1A1ERN1TRIM24 | |
| SCHEMBL29577162 | 0.71 | ALDH1A1 (0.65) | CYP2A6CYP1A2ALDH1A1ERN1TRIM24 | |
| SCHEMBL271175 | 0.71 | ALDH1A1 (0.65) | CYP2A6CYP1A2ALDH1A1ERN1TRIM24 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996032377-A1 | LIPOXYGENASE AND CYCLOOXYGENASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1996-10-17 | — | — | WO | disclosed |
| US-5516789-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS | ABBOTT LABORATORIES (US) | 1996-05-14 | — | — | US | disclosed |