Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | TACR3 | P29371 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PYGL | P06737 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3587642 | 1.00 | ATM (0.38) | ATMTACR3PARP1PARP3CYP2C9 | |
| SCHEMBL13030993 | 0.86 | ALDH1A1 (0.49) | ALDH1A1CYP3A4 | |
| SCHEMBL13030997 | 0.83 | ALDH1A1 (0.38) | ALDH1A1THRB | |
| Hydrochloric Acid SCHEMBL3551035 | 0.82 | ALDH1A1 (0.40) | ALDH1A1THRB | |
| Hydrochloric Acid SCHEMBL3551031 | 0.82 | ALDH1A1 (0.40) | ALDH1A1THRB | |
| SCHEMBL3547969 | 0.78 | MMP8 (0.38) | ATMALDH1A1HSD17B10POLB | |
| SCHEMBL3761588 | 0.76 | L3MBTL1 (0.37) | ATMPARP1PARP3ALDH1A1HSD17B10 | |
| SCHEMBL3608214 | 0.76 | PKM (0.43) | CYP2C9ALDH1A1THRBHSD17B10CYP3A4 | |
| SCHEMBL3761591 | 0.74 | TRPM8 (0.36) | ATMTACR3PARP1PARP3CYP2C9 | |
| SCHEMBL4586241 | 0.72 | LNPEP (0.45) | ATMCYP2C9CYP2C19ALDH1A1THRB |
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 | disclosed |
| EP-1689493-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Pharma Company (US) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005065779-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-07-21 | — | — | WO | disclosed |