Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.41 |
| ▸ | SAT1 | P21673 | 3/20 | 0.37 |
| ▸ | CA3 | P07451 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 2/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6285153 | 0.88 | CYP2C19 (0.52) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| SCHEMBL6285355 | 0.84 | CYP2C19 (0.50) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| SCHEMBL20031214 | 0.83 | CA3 (0.48) | PAOXCA3CA5ACA5BCA12 | |
| SCHEMBL6286823 | 0.82 | PAOX (0.50) | PAOXTSHREPHX1 | |
| SCHEMBL22113740 | 0.82 | PAOX (0.61) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| SCHEMBL6289668 | 0.82 | CYP2C19 (0.48) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| SCHEMBL7766501 | 0.79 | PAOX (0.48) | CYP2C19MEN1KMT2ACYP1A2PAOX | |
| SCHEMBL6285171 | 0.78 | PAOX (0.55) | MEN1KMT2APAOXTSHREPHX1 | |
| SCHEMBL13227330 | 0.77 | — | — | |
| SCHEMBL6289694 | 0.76 | EPHX1 (0.57) | PAOXTSHREPHX1 |
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-0558630-B1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO CO (US) | 1998-04-08 | — | — | EP | claimed |
| WO-1993023368-A1 | UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS AS RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1993-11-25 | — | — | WO | claimed |
| EP-0558630-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1993-09-08 | — | — | EP | claimed |
| WO-1992008701-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1992-05-29 | — | — | WO | claimed |