Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27577717 | 0.85 | CYP3A4 (0.46) | CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL2308926 | 0.83 | CYP3A4 (0.44) | CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL7380489 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP2D6ALDH1A1HRH1HRH3 | |
| SCHEMBL3984962 | 0.81 | CYP3A4 (0.43) | CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL272745 | 0.80 | — | — | |
| SCHEMBL6609419 | 0.80 | — | — | |
| SCHEMBL7471615 | 0.78 | LMNA (0.38) | CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6 | |
| Bromide SCHEMBL9249645 | 0.78 | CYP3A4 (0.50) | CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL401609 | 0.78 | — | — | |
| SCHEMBL11549923 | 0.78 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0435059-B1 | Retroviral protease inhibitors | HOECHST AG (DE) | 1997-11-05 | — | — | EP | claimed |
| EP-0649426-A1 | INHIBITORS OF RETROVIRAL PROTEASES | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-04-26 | — | — | EP | claimed |
| WO-1994000461-A1 | INHIBITORS OF RETROVIRAL PROTEASES | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-01-06 | — | — | WO | claimed |
| EP-0435059-A1 | Retroviral protease inhibitors | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-07-03 | — | — | EP | claimed |
| EP-0428849-A2 | Retroviral protease inhibitors | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-05-29 | — | — | EP | claimed |
| EP-1005470-B1 | OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS | ASTRAZENECA AB (SE) | 2007-08-01 | — | — | EP | disclosed |
| EP-0435059-B1 | Retroviral protease inhibitors | HOECHST AG (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0649426-A1 | INHIBITORS OF RETROVIRAL PROTEASES | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-04-26 | — | — | EP | disclosed |
| WO-1994000461-A1 | INHIBITORS OF RETROVIRAL PROTEASES | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-01-06 | — | — | WO | disclosed |
| EP-0435059-A1 | Retroviral protease inhibitors | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-07-03 | — | — | EP | disclosed |