Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 1/20 | 0.53 |
| ▸ | METAP1 | P53582 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10742556 | 0.80 | METAP2 (0.57) | METAP2METAP1PDE5A | |
| SCHEMBL4913595 | 0.78 | PARP1 (0.46) | PARP1NPY5RCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL4908450 | 0.77 | PARP1 (0.45) | PARP1NPY5RCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10740152 | 0.77 | PDE2A (0.47) | METAP2METAP1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10740734 | 0.76 | PDE5A (0.65) | METAP2METAP1ALDH1A1TSHRHSD17B10 | |
| SCHEMBL786353 | 0.76 | HCAR2 (0.60) | PARP1NPY5RPTGESPIP4K2C | |
| SCHEMBL10742987 | 0.73 | METAP2 (0.53) | METAP2METAP1ALDH1A1ALOX15PDE5A | |
| SCHEMBL10737707 | 0.73 | PDE5A (0.68) | METAP2METAP1PARP1ALDH1A1PDE5A | |
| SCHEMBL10738710 | 0.73 | METAP2 (0.53) | METAP2METAP1PTGESPDE5A | |
| SCHEMBL2488055 | 0.72 | CYP3A4 (0.50) | PARP1NPY5RCYP1A2CYP3A4CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4654344-A | ALSO AFFECT BLOOD PRESSURE AND MYOCARDIAL CONTRACTIONS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-03-31 | — | — | US | disclosed |
| EP-0093951-B1 | 2-ARYL-TETRAAZAINDENES | MERCK PATENT GmbH (DE) | 1986-10-29 | — | — | EP | disclosed |
| US-4575505-A | Pharmaceutical compositions containing 2-aryltetraazaindenes for treating ulcers or cardiac insufficiency or blood pressure abnormalities | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-03-11 | — | — | US | disclosed |
| US-4477454-A | INDOTROPIC AGENTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-10-16 | — | — | US | disclosed |
| EP-0093951-A2 | 2-Aryl-tetraazaindenes | MERCK PATENT GmbH (DE) | 1983-11-16 | — | — | EP | disclosed |