Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | RECQL | P46063 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | ALPI | P09923 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | XIAP | P98170 | 1/20 | 0.49 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.49 |
| ▸ | CTSC | P53634 | 1/20 | 0.47 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.47 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 2/20 | 0.44 |
| ▸ | ANPEP | P15144 | 1/20 | 0.42 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.42 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9512544 | 1.00 | CYP1A2 (0.62) | CYP1A2CYP3A4RECQLMAPK1ALPI | |
| Hydrochloric Acid SCHEMBL9171169 | 0.99 | MAPK1 (0.63) | CYP1A2CYP3A4RECQLMAPK1ALPI | |
| Hydrochloric Acid SCHEMBL9167246 | 0.99 | MAPK1 (0.63) | CYP1A2CYP3A4RECQLMAPK1ALPI | |
| SCHEMBL9171380 | 0.86 | CYP3A4 (0.65) | CYP1A2CYP3A4RECQLMAPK1ENPEP | |
| SCHEMBL9514532 | 0.86 | CYP3A4 (0.65) | CYP1A2CYP3A4RECQLMAPK1ENPEP | |
| SCHEMBL9512649 | 0.86 | CYP3A4 (0.65) | CYP1A2CYP3A4RECQLMAPK1ENPEP | |
| Hydrochloric Acid SCHEMBL9171943 | 0.84 | MAPK1 (0.66) | CYP1A2CYP3A4RECQLMAPK1ENPEP | |
| Hydrochloric Acid SCHEMBL9163195 | 0.84 | MAPK1 (0.66) | CYP1A2CYP3A4RECQLMAPK1ENPEP | |
| SCHEMBL9513189 | 0.84 | CYP3A4 (0.56) | CYP1A2CYP3A4RECQLMAPK1ENPEP | |
| SCHEMBL9511046 | 0.84 | CYP3A4 (0.56) | CYP1A2CYP3A4RECQLMAPK1ENPEP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0326240-B1 | 2-Amino acetamide derivatives | FISONS CORP (US) | 1993-10-20 | — | — | EP | claimed |