Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYCS | P99999 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7417679 | 0.86 | CASP1 (0.51) | CASP1CYP26A1GPR55RAB9AGAA | |
| SCHEMBL7415012 | 0.86 | CYP26A1 (0.46) | CASP1CYP26A1RAB9AGAACYCS | |
| SCHEMBL7423070 | 0.76 | USP30 (0.49) | RAB9AGAAF10PRSS1CA2 | |
| SCHEMBL23967346 | 0.75 | GAA (0.54) | CASP1CYP26A1L3MBTL1RAB9AGAA | |
| SCHEMBL7464416 | 0.74 | CA1 (0.47) | CYP26A1L3MBTL1RAB9AGAAF10 | |
| SCHEMBL3632239 | 0.69 | CA12 (0.62) | CA12CA9L3MBTL1 | |
| SCHEMBL2006242 | 0.69 | PKLR (0.56) | CASP1CA12CA9L3MBTL1GAA | |
| SCHEMBL14366117 | 0.69 | CA12 (0.55) | CA12CA9F2F10PRSS1 | |
| SCHEMBL4896298 | 0.68 | NPC1 (0.53) | CASP1CYP26A1RAB9AGAANPC1 | |
| SCHEMBL5784143 | 0.67 | AGTR2 (0.47) | AGTR1AGTR2 |
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 |