Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 | P00742 | 6/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.38 |
| ▸ | FEN1 | P39748 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7994011 | 0.84 | ALOX5AP (0.42) | ALOX5APFEN1 | |
| SCHEMBL7995594 | 0.81 | F10 (0.42) | F10SCN9AALOX5APFEN1TRPV1 | |
| SCHEMBL7995479 | 0.77 | F10 (0.44) | F10CA9CA2SCN9AALOX5AP | |
| SCHEMBL5968143 | 0.74 | ALOX5AP (0.51) | F10CA9CA2SCN9AALOX5AP | |
| SCHEMBL10864758 | 0.68 | CA1 (0.59) | F10CA9CA2SCN9ACA12 | |
| SCHEMBL29481486 | 0.68 | CA1 (0.59) | F10CA9CA2SCN9ACA12 | |
| SCHEMBL4664143 | 0.68 | CA2 (0.55) | CA9CA2SCN9AALDH1A1CA12 | |
| SCHEMBL28163944 | 0.67 | ALDH1A1 (0.47) | CA9CA2SCN9AALDH1A1CYP1A2 | |
| SCHEMBL7995533 | 0.67 | ALOX5AP (0.49) | ALOX5APFEN1 | |
| SCHEMBL7994136 | 0.66 | ALOX5AP (0.54) | ALOX5APFEN1 |
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-0810858-A4 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | DU PONT PHARM CO (US) | 2000-11-15 | — | — | EP | disclosed |
| EP-0810858-A2 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-12-10 | — | — | EP | disclosed |
| WO-1996020689-A2 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-11 | — | — | WO | disclosed |