Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 15/20 | 0.61 |
| ▸ | CCKAR | P32238 | 3/20 | 0.52 |
| ▸ | GABRP | O00591 | 1/20 | 0.49 |
| ▸ | GABRD | O14764 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.49 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.49 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.49 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.49 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.49 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.49 |
| ▸ | GABRE | P78334 | 1/20 | 0.49 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.49 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.49 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.49 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9718390 | 1.00 | CCKBR (0.61) | CCKBRCCKARGABRPGABRDGABRA1 | |
| SCHEMBL3252895 | 0.83 | KCNH2 (0.47) | CCKBR | |
| SCHEMBL9867739 | 0.82 | CCKBR (0.58) | CCKBRCCKARGABRPGABRDGABRA1 | |
| SCHEMBL10683374 | 0.79 | CCKBR (0.56) | CCKBRCCKARGABRPGABRDGABRA1 | |
| SCHEMBL10520112 | 0.78 | CCKBR (0.59) | CCKBRCCKARGABRPGABRDGABRA1 | |
| Hydrochloric Acid SCHEMBL8926212 | 0.77 | CCKBR (0.52) | CCKBRCCKARGABRPGABRDGABRA1 | |
| Hydrochloric Acid SCHEMBL7206771 | 0.77 | CCKBR (0.52) | CCKBRCCKARGABRPGABRDGABRA1 | |
| SCHEMBL9866438 | 0.76 | CCKBR (1.00) | CCKBR | |
| SCHEMBL9423126 | 0.74 | CCKBR (0.74) | CCKBRCCKAR | |
| SCHEMBL9422961 | 0.74 | CCKBR (0.74) | CCKBRCCKAR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5175159-A | Prevention of premature labor | MERCK & CO., INC. (US) | 1992-12-29 | — | — | US | disclosed |
| EP-0421802-A2 | 3-substituted-1,4-benzodiazepines useful as oxytocin antagonists | MERCK & CO. INC. (US) | 1991-04-10 | — | — | EP | disclosed |