Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | F2 | P00734 | 4/20 | 0.52 |
| ▸ | DPP4 | P27487 | 3/20 | 0.50 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.50 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.50 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.50 |
| ▸ | FAP | Q12884 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27544517 | 1.00 | CYP3A4 (0.52) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27584410 | 0.99 | CYP3A4 (0.52) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7147492 | 0.99 | CYP3A4 (0.52) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL7102916 | 0.91 | F2 (0.52) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL21067756 | 0.89 | DPP4 (0.61) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL21067758 | 0.89 | DPP4 (0.61) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL27470814 | 0.87 | ALDH1A1 (0.48) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL7107389 | 0.87 | ALDH1A1 (0.48) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL7106999 | 0.86 | CYP3A4 (0.58) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL7102492 | 0.86 | CYP3A4 (0.58) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1361212-A1 | Peptide derivatives as antithrombotic agents | AstraZeneca AB (SE) | 2003-11-12 | — | — | EP | claimed |
| EP-0672658-A1 | Antithrombotic agents | ELI LILLY AND COMPANY (US) | 1995-09-20 | — | — | EP | claimed |
| WO-1995023609-A1 | ANTITHROMBOTIC AGENTS | ELI LILLY AND COMPANY (US) | 1995-09-08 | — | — | WO | claimed |