Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | OXTR | P30559 | 4/20 | 0.39 |
| ▸ | AVPR1A | P37288 | 4/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7614156 | 1.00 | CHRNB2 (0.45) | CHRNB2CHRNA4CHRNB4CHRNA3ROCK2 | |
| SCHEMBL7614159 | 1.00 | CHRNB2 (0.45) | CHRNB2CHRNA4CHRNB4CHRNA3ROCK2 | |
| Bromide SCHEMBL7616587 | 0.75 | OPRM1 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3ROCK2 | |
| Bromide SCHEMBL7616585 | 0.75 | OPRM1 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3ROCK2 | |
| SCHEMBL24177647 | 0.74 | HRH3 (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3OPRM1 | |
| SCHEMBL18048553 | 0.73 | MCHR1 (0.45) | ROCK2MCHR1 | |
| SCHEMBL29741499 | 0.72 | SMN1; SMN2 (0.65) | CHRNB2CHRNA4CHRNB4CHRNA3OPRM1 | |
| SCHEMBL5827625 | 0.72 | MCHR1 (0.47) | HTTMCHR1 | |
| SCHEMBL1358649 | 0.71 | NPC1 (0.60) | CHRNB2CHRNA4CHRNB4CHRNA3OPRM1 | |
| SCHEMBL8568624 | 0.71 | ROCK2 (0.56) | ROCK2MCHR1 |
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-0620225-B1 | Cephalosporin derivatives | BASILEA PHARMACEUTICA AG (CH) | 2002-11-13 | — | — | EP | disclosed |
| US-5523400-A | 3-(PYRROLIDIN-3-YLIDENE=CH-),7-((2-AMINOTHIAZOL-4-YL)HYDROX -IMINOACETYLAMINO-)-3-CEPHEM DERIVATIVES; BROAD SPECTRUM ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1996-06-04 | — | — | US | disclosed |
| EP-0620225-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1994-10-19 | — | — | EP | disclosed |