Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 5/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | GPR183 | P32249 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2683560 | 0.82 | PTGS1 (0.50) | PTGS1PTGS2NQO2GPR183AKR1C3 | |
| SCHEMBL2683562 | 0.82 | PTGS1 (0.50) | PTGS1PTGS2NQO2GPR183AKR1C3 | |
| SCHEMBL9937304 | 0.81 | PTGS1 (0.43) | PTGS1PTGS2NQO2GPR183ERBB2 | |
| SCHEMBL28816901 | 0.73 | KIF11 (0.47) | PTGS1PTGS2NQO2GPR183AKR1C3 | |
| SCHEMBL28816900 | 0.73 | KIF11 (0.47) | PTGS1PTGS2NQO2GPR183AKR1C3 | |
| SCHEMBL2683558 | 0.70 | ESR1 (0.47) | PTGS2GPR183AKR1C3KDM4EALDH1A1 | |
| SCHEMBL2683557 | 0.70 | ESR1 (0.47) | PTGS2GPR183AKR1C3KDM4EALDH1A1 | |
| SCHEMBL21738730 | 0.69 | ESR1 (0.62) | PTGS2AKR1C3KDM4EALDH1A1MAPT | |
| SCHEMBL13930403 | 0.67 | MAPT (0.58) | PTGS1PTGS2NQO2KDM4EALDH1A1 | |
| SCHEMBL6760853 | 0.65 | PTGS2 (0.59) | PTGS2GPR183AKR1C3KDM4EALDH1A1 |
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-2651924-A1 | ANTI-VIRAL COMPOUNDS | Abbvie Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012083164-A1 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2012-06-21 | — | — | WO | disclosed |