Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CYCS | P99999 | 1/20 | 0.43 |
| ▸ | CTSA | P10619 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 2/20 | 0.41 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.40 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ITGAV | P06756 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7464416 | 0.88 | CA1 (0.47) | CYP26A1RAB9AGAACA2CA1 | |
| SCHEMBL7417679 | 0.87 | CASP1 (0.51) | CYP26A1RAB9AGAACASP1CA2 | |
| SCHEMBL7417684 | 0.86 | CASP1 (0.44) | CYP26A1RAB9AGAACASP1CA2 | |
| SCHEMBL23967346 | 0.80 | GAA (0.54) | CYP26A1RAB9AGAACASP1CA2 | |
| SCHEMBL7418216 | 0.80 | F10 (0.56) | RAB9AGAAF10ALDH1A1NPC1 | |
| SCHEMBL7423070 | 0.76 | USP30 (0.49) | RAB9AGAACA2CA1F10 | |
| Trifluoroacetic Acid SCHEMBL6165833 | 0.75 | F10 (0.58) | F10 | |
| SCHEMBL5782496 | 0.74 | ITGA4 (0.55) | — | |
| SCHEMBL890515 | 0.72 | PTGS2 (0.49) | RAB9ACA2CA1PTGS2ALDH1A1 | |
| SCHEMBL29788178 | 0.72 | PTGS2 (0.49) | RAB9ACA2CA1PTGS2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1235807-A1 | B-AMINO ACID-, ASPARTIC ACID- AND DIAMINOPROPIONIC-BASED INHIBITORS OF FACTOR XA | Millennium Pharmaceuticals, Inc. (US) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001038309-A1 | β-AMINO ACID-, ASPARTIC ACID- AND DIAMINOPROPIONIC-BASED INHIBITORS OF FACTOR Xa | COR THERAPEUTICS, INC. (US) | 2001-05-31 | — | — | WO | disclosed |