Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 2/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12520102 | 0.89 | GABRA1 (0.39) | KDM4EAPAF1POLBMAPTRECQL | |
| SCHEMBL28791404 | 0.82 | PPARG (0.42) | KDM4EALDH1A1 | |
| SCHEMBL19734345 | 0.79 | FOLH1 (0.47) | KDM4EPOLBMAPTRECQLTSHR | |
| SCHEMBL7365129 | 0.79 | DPP4 (0.34) | — | |
| SCHEMBL2827224 | 0.76 | MEN1 (0.51) | POLBTSHRKMT2AALDH1A1 | |
| SCHEMBL13545160 | 0.76 | HPGD (0.54) | TSHRKMT2ACYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL31112245 | 0.76 | HPGD (0.54) | TSHRKMT2ACYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL6681981 | 0.74 | GABRA1 (0.58) | CYP4F2CYP4A11CYP2D6SLC6A2SLC6A4 | |
| Propionic Acid SCHEMBL28301195 | 0.74 | CYP4F2 (0.52) | CYP4F2CYP4A11MAPTL3MBTL1TSHR | |
| SCHEMBL7364928 | 0.74 | ALDH1A1 (0.36) | MAPTKMT2AALDH1A1 |
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-1112269-A2 | HIV PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000015634-A2 | HIV PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2000-03-23 | — | — | WO | disclosed |