Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.45 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.41 |
| ▸ | DDT | P30046 | 1/20 | 0.41 |
| ▸ | FNTA | P49354 | 3/20 | 0.41 |
| ▸ | FNTB | P49356 | 3/20 | 0.41 |
| ▸ | PGGT1B | P53609 | 3/20 | 0.41 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3704899 | 0.80 | PARP1 (0.42) | AKR1C3AKR1C2 | |
| SCHEMBL6437284 | 0.79 | PDCD1 (0.47) | NR1H4PTGER1CD274SUCNR1 | |
| SCHEMBL3708765 | 0.78 | FAAH (0.43) | AKR1C3AKR1C2 | |
| SCHEMBL3698515 | 0.76 | PARP1 (0.44) | AKR1C3AKR1C2 | |
| SCHEMBL3714031 | 0.75 | AR (0.48) | ROCK2PLA2G2A | |
| SCHEMBL4671323 | 0.75 | KMO (0.51) | NR1H4FOLH1KMOAKR1C3AKR1C2 | |
| SCHEMBL6432986 | 0.74 | SYK (0.52) | PTGER1CD274 | |
| SCHEMBL6434156 | 0.74 | PTGER1 (0.52) | NR1H4FOLH1KMOFNTAFNTB | |
| SCHEMBL3201162 | 0.74 | NR1H4 (0.59) | NR1H4FOLH1KMOAKR1C3AKR1C2 | |
| Hydrochloric Acid SCHEMBL3852306 | 0.73 | NR1H4 (0.58) | NR1H4FOLH1KMOAKR1C3AKR1C2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1087943-B1 | THERAPEUTIC BIARYL DERIVATIVES | GLAXO GROUP LTD (GB) | 2005-08-17 | — | — | EP | disclosed |
| US-6251925-B1 | AN AGONISTS FOR HUMAN BETA-3 ADRENOCEPTOR | GLAXO WELLCOME INC. | 2001-06-26 | — | — | US | disclosed |
| EP-1087943-A1 | THERAPEUTIC BIARYL DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2001-04-04 | — | — | EP | disclosed |
| WO-1999065877-A1 | THERAPEUTIC BIARYL DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1999-12-23 | — | — | WO | disclosed |