Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | F2 | P00734 | 4/20 | 0.56 |
| ▸ | DPP4 | P27487 | 3/20 | 0.55 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.55 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.55 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.55 |
| ▸ | FAP | Q12884 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.52 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL21067758 | 0.95 | DPP4 (0.61) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL21067756 | 0.95 | DPP4 (0.61) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL7101546 | 0.94 | F2 (0.55) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL7106999 | 0.92 | CYP3A4 (0.58) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL23752316 | 0.88 | F2 (0.74) | F2 | |
| SCHEMBL15077024 | 0.88 | F2 (0.74) | F2 | |
| SCHEMBL7148728 | 0.88 | F2 (0.74) | F2 | |
| Hydrochloric Acid SCHEMBL7357933 | 0.87 | F2 (0.73) | F2 | |
| Hydrochloric Acid SCHEMBL7147479 | 0.87 | F2 (0.73) | F2 | |
| Hydrochloric Acid SCHEMBL7360853 | 0.87 | DPP4 (0.61) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 |
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-0672658-B1 | Antithrombotic agents | ASTRAZENECA AB (SE) | 2003-09-17 | — | — | EP | claimed |