Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4593672 | 0.86 | HTR1A (0.42) | HTR1ASLC6A2SLC6A3ENPP2GRIN2D | |
| SCHEMBL4592711 | 0.80 | HTR1A (0.44) | HTR1ASLC6A2SLC6A3ENPP2GRIN2D | |
| SCHEMBL5660887 | 0.74 | PARP1 (0.38) | SLC6A2SLC6A3CYP3A4CALCRLMAPT | |
| SCHEMBL4586626 | 0.73 | HTR1A (0.47) | HTR1ASLC6A2SLC6A3ENPP2GRIN2D | |
| SCHEMBL5656816 | 0.73 | PARP1 (0.30) | — | |
| SCHEMBL5658564 | 0.72 | SLC6A2 (0.36) | SLC6A2SLC6A3CYP3A4CALCRLGRIN2B | |
| SCHEMBL3598612 | 0.71 | CYP3A4 (0.51) | ENPP2CYP3A4CALCRLGRIN2DGRIN3B | |
| SCHEMBL4593260 | 0.70 | CYP3A4 (0.36) | HTR1ACYP3A4CALCRLMEN1KMT2A | |
| SCHEMBL3598608 | 0.70 | PARP1 (0.35) | CYP3A4CALCRL | |
| SCHEMBL5660903 | 0.69 | ROCK2 (0.36) | SLC6A2SLC6A3CYP3A4CALCRL |
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-1689493-A4 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2008-04-23 | — | — | EP | claimed |
| EP-1689493-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Pharma Company (US) | 2006-08-16 | — | — | EP | claimed |
| WO-2005065779-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-07-21 | — | — | WO | claimed |