Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27512733 | 1.00 | LDHA (0.56) | LDHASLC6A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL17009239 | 0.84 | LDHA (0.53) | LDHASLC6A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL28285284 | 0.84 | LDHA (0.60) | LDHASLC6A4EPHX1PPARGALDH1A1 | |
| SCHEMBL6121878 | 0.83 | LDHA (0.59) | LDHASLC6A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL21715226 | 0.83 | LDHA (0.51) | LDHASLC6A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7355703 | 0.83 | CYP1A1 (0.43) | LDHACYP2C19CYP1A2CYP2D6PPARG | |
| SCHEMBL933944 | 0.83 | LDHA (0.54) | LDHASLC6A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL19410698 | 0.83 | LDHA (0.54) | LDHASLC6A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7352324 | 0.82 | MME (0.54) | — | |
| SCHEMBL17397495 | 0.82 | LDHA (0.50) | LDHASLC6A4CYP2C19CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1268117-A | Novel inhibitors of aggrecanase and matrix metalloproteinases for the treatment of arthritis | DU PONT PHARM CO (US) | 2000-09-27 | — | — | CN | claimed |
| US-5708004-A | ENZYME INHIBITORS FOR TREATMENT OF AIDS | MONSANTO COMPANY (US) | 1998-01-13 | — | — | US | disclosed |
| EP-0558603-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1993-09-08 | — | — | EP | disclosed |
| WO-1992008688-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1992-05-29 | — | — | WO | disclosed |