Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.51 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
| ▸ | CYCS | P99999 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7415012 | 0.87 | CYP26A1 (0.46) | CASP1CYP26A1GAARAB9AALDH1A1 | |
| SCHEMBL7417684 | 0.86 | CASP1 (0.44) | CASP1CYP26A1GAARAB9AGPR55 | |
| SCHEMBL7423070 | 0.77 | USP30 (0.49) | USP30GAARAB9ACA2CA1 | |
| SCHEMBL23967346 | 0.77 | GAA (0.54) | CASP1CYP26A1GAARAB9AALDH1A1 | |
| SCHEMBL7464416 | 0.76 | CA1 (0.47) | CYP26A1GAARAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL5191776 | 0.76 | OPRM1 (0.63) | CASP1OPRM1OPRK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL1109199 | 0.69 | CYP26A1 (0.59) | CYP26A1GAARAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL29067682 | 0.68 | GAA (0.53) | CYP26A1POLBGAARAB9AALDH1A1 | |
| SCHEMBL13868571 | 0.68 | GAA (0.53) | CYP26A1POLBGAARAB9AALDH1A1 | |
| SCHEMBL4896289 | 0.68 | GAA (0.53) | CYP26A1POLBGAARAB9AALDH1A1 |
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 |