Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.41 |
| ▸ | GSR | P00390 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6759432 | 0.81 | ALDH5A1 (0.47) | MAOB | |
| SCHEMBL1381443 | 0.74 | CA2 (0.65) | AKR1C3PTGS2ENPP2GSR | |
| SCHEMBL6656686 | 0.73 | GSR (0.51) | AKR1C3EPHX2NR1H4ENPP2GSR | |
| Hydrochloric Acid SCHEMBL14482763 | 0.72 | CA2 (0.63) | AKR1C3PTGS2ENPP2GSR | |
| SCHEMBL3056916 | 0.72 | AKR1C3 (0.53) | MAOBAKR1C3PTGS2ENPP2GSR | |
| SCHEMBL14754379 | 0.72 | AKR1C3 (0.49) | MAOBAKR1C3PTGS2ENPP2GSR | |
| SCHEMBL13543239 | 0.71 | ENPP2 (0.50) | MAOBAKR1C3PTGS2EPHX2NR1H4 | |
| SCHEMBL27470345 | 0.71 | TGM2 (0.58) | MAOBAKR1C3PTGS2ENPP2GSR | |
| SCHEMBL4321082 | 0.69 | ENPP2 (0.58) | AKR1C3PTGS2ENPP2GSR | |
| SCHEMBL29356248 | 0.69 | CA2 (0.69) | PTGS2ENPP2GSR |
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-6716878-B1 | BACTERICIDE, ANTIPROTOZOAL; VANCOMYCIN RESISTANT ENTEROCOCCI AND BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA, METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS; HYDROXAMIC ACID AND N-FORMYL SUBTITUTED ALKYLAMIDES | VERNALIS (OXFORD) LIMITED (GB) | 2004-04-06 | — | — | US | claimed |
| US-6716878-B1 | BACTERICIDE, ANTIPROTOZOAL; VANCOMYCIN RESISTANT ENTEROCOCCI AND BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA, METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS; HYDROXAMIC ACID AND N-FORMYL SUBTITUTED ALKYLAMIDES | VERNALIS (OXFORD) LIMITED (GB) | 2004-04-06 | — | — | US | disclosed |