Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | TET3 | O43151 | 1/20 | 0.34 |
| ▸ | FBXL19 | Q6PCT2 | 1/20 | 0.34 |
| ▸ | CXXC5 | Q7LFL8 | 1/20 | 0.34 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.34 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.34 |
| ▸ | CXXC4 | Q9H2H0 | 1/20 | 0.34 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3485621 | 0.80 | AVPR1A (0.44) | OPRM1KMT2AALDH1A1RAB9ANPC1 | |
| SCHEMBL28761351 | 0.79 | SLC6A2 (0.39) | OPRM1CYP2D6 | |
| SCHEMBL27644978 | 0.79 | RAB9A (0.44) | SIGMAR1ALDH1A1RAB9A | |
| SCHEMBL2463164 | 0.75 | NAAA (0.44) | ALDH1A1MAPK1CYP2D6 | |
| SCHEMBL17870745 | 0.72 | CYP2C19 (0.37) | OPRM1OPRK1KMT2ASIGMAR1ALDH1A1 | |
| SCHEMBL1177807 | 0.72 | ESR1 (0.41) | OPRK1ALDH1A1RAB9ANPC1 | |
| SCHEMBL10006856 | 0.72 | P2RX7 (0.36) | ALDH1A1RAB9ANPC1 | |
| SCHEMBL2468103 | 0.71 | PLA2G10 (0.41) | KMT2AALDH1A1MEN1 | |
| SCHEMBL28250538 | 0.71 | RAB9A (0.43) | SIGMAR1ALDH1A1RAB9A | |
| SCHEMBL3984421 | 0.71 | KMT2A (0.46) | KMT2ATET3FBXL19CXXC5KDM2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100558428-C | Calcitonin gene related peptide receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2009-11-11 | — | — | CN | disclosed |
| CN-1917921-A | Calcitonin gene related peptide receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2007-02-21 | — | — | CN | disclosed |
| EP-1539766-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2003104236-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-18 | — | — | WO | disclosed |