Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | CPB1 | P15086 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 4/20 | 0.40 |
| ▸ | LAP3 | P28838 | 2/20 | 0.40 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.40 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.40 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.39 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10590665 | 0.98 | CYP3A4 (0.47) | CYP1A2CYP3A4CYP2D6TSHRHSD17B10 | |
| SCHEMBL7359102 | 0.93 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2D6TSHRHSD17B10 | |
| SCHEMBL7357914 | 0.89 | ESR1 (0.39) | CYP1A2CYP3A4CYP2D6TSHRHSD17B10 | |
| SCHEMBL10591375 | 0.86 | SLC15A1 (0.43) | LTA4HANPEPLAP3RNPEPDNPEP | |
| SCHEMBL7368172 | 0.83 | TAAR1 (0.44) | LTA4HANPEPLAP3RNPEPDNPEP | |
| SCHEMBL7325758 | 0.79 | KLK5 (0.58) | — | |
| SCHEMBL7360172 | 0.79 | KLK5 (0.58) | — | |
| SCHEMBL10377216 | 0.79 | KLK5 (0.58) | — | |
| SCHEMBL10378648 | 0.79 | BACE1 (0.50) | ANPEP | |
| SCHEMBL10378722 | 0.79 | BACE1 (0.50) | ANPEP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0415981-A4 | RETROVIRAL PROTEASE INHIBITORS | — | 1991-10-09 | — | — | EP | disclosed |
| EP-0415981-A1 | RETROVIRAL PROTEASE INHIBITORS | ABBOTT LABORATORIES (US) | 1991-03-13 | — | — | EP | disclosed |
| WO-1989010752-A1 | RETROVIRAL PROTEASE INHIBITORS | ABBOTT LABORATORIES (US) | 1989-11-16 | — | — | WO | disclosed |