Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.50 |
| ▸ | ELANE | P08246 | 2/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TYMS | P04818 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 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 | |
|---|---|---|---|---|
| SCHEMBL9765522 | 0.91 | AKR1B1 (0.64) | CYP1A2CYP2A6AKR1B1ELANENPC1 | |
| SCHEMBL9765513 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2A6AKR1B1NPC1ALDH1A1 | |
| SCHEMBL29407167 | 0.78 | CYP2A6 (0.80) | CYP1A2CYP2A6AKR1C3AKR1C2DAO | |
| SCHEMBL347592 | 0.78 | CYP2A6 (0.80) | CYP1A2CYP2A6AKR1C3AKR1C2DAO | |
| SCHEMBL8653130 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP2A6ELANEAKR1C3AKR1C2 | |
| SCHEMBL598696 | 0.77 | CYP1A2 (0.69) | CYP1A2CYP2A6AKR1B1ALDH1A1MAPT | |
| SCHEMBL18725322 | 0.76 | TYMS (0.43) | CYP1A2CYP2A6ELANEDAONPC1 | |
| SCHEMBL4123235 | 0.76 | CYP1A2 (0.47) | CYP1A2CYP2A6ELANEAKR1C3AKR1C2 | |
| SCHEMBL3949360 | 0.76 | CYP1A2 (0.47) | CYP1A2CYP2A6ELANEAKR1C3AKR1C2 | |
| SCHEMBL9765541 | 0.76 | AKR1B1 (0.60) | CYP1A2CYP2A6AKR1B1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0984963-B1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2001-04-11 | — | — | EP | disclosed |
| US-6162808-A | Compounds | ASTRAZENECA U.K. LIMITED (GB) | 2000-12-19 | — | — | US | disclosed |