Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24773784 | 0.87 | SMN1; SMN2 (0.51) | SMN1; SMN2CYP3A4TDP1ADORA3ALDH1A1 | |
| SCHEMBL7363101 | 0.87 | ADORA3 (0.49) | SMN1; SMN2CYP3A4TDP1ADORA3ALDH1A1 | |
| SCHEMBL7358402 | 0.85 | CYP3A4 (0.49) | SMN1; SMN2CYP3A4TDP1ADORA3ALDH1A1 | |
| SCHEMBL7362801 | 0.83 | POLB (0.60) | SMN1; SMN2CYP3A4TDP1ADORA3ALDH1A1 | |
| SCHEMBL10736055 | 0.81 | SMN1; SMN2 (0.61) | SMN1; SMN2CYP3A4TDP1ALDH1A1POLB | |
| SCHEMBL25882373 | 0.81 | ALDH1A1 (0.65) | SMN1; SMN2CYP3A4ADORA3ALDH1A1POLB | |
| SCHEMBL25878362 | 0.80 | CYP3A4 (0.44) | SMN1; SMN2CYP3A4TDP1ADORA3ALDH1A1 | |
| SCHEMBL11439946 | 0.80 | SMN1; SMN2 (0.50) | SMN1; SMN2CYP3A4TDP1ALDH1A1POLB | |
| SCHEMBL11808110 | 0.80 | KDM4E (0.52) | SMN1; SMN2CYP3A4TDP1ALDH1A1POLB | |
| SCHEMBL31644242 | 0.78 | SMN1; SMN2 (0.52) | SMN1; SMN2CYP3A4TDP1ALDH1A1HPGD |
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-0805681-A4 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1998-05-06 | — | — | EP | disclosed |
| EP-0805681-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1997-11-12 | — | — | EP | disclosed |
| WO-1996022775-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1996-08-01 | — | — | WO | disclosed |