Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL722595 | 0.71 | CYP2A6 (0.56) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL18783296 | 0.68 | CYP2A6 (0.50) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL10301441 | 0.68 | CYP2A6 (0.46) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL1181150 | 0.67 | PDE10A (0.44) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL14886177 | 0.65 | CYP2A6 (0.52) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL679998 | 0.65 | CYP2A6 (0.43) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL14038764 | 0.65 | CYP2A6 (0.47) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL13130594 | 0.65 | CYP2A6 (0.61) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL9825986 | 0.64 | COMT (0.45) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL18783025 | 0.64 | ALDH1A1 (0.53) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0022245-A2 | Aminothiadiazolyl derivatives, process for their preparation, pharmaceutical compositions containing them;starting compounds and process for their preparation | CIBA-GEIGY AG (CH) | 1981-01-14 | — | — | EP | disclosed |
| US-4118562-A | ANTIBIOTICS | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 1978-10-03 | — | — | US | disclosed |
| US-4093804-A | ANTIBIOTICS | YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) | 1978-06-06 | — | — | US | disclosed |
| US-4093802-A | ANTIBIOTICS | YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) | 1978-06-06 | — | — | US | disclosed |
| US-4045438-A | Cephalosporin antibiotics | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 1977-08-30 | — | — | US | disclosed |
| US-4031083-A | Cephalosporin antibiotics | YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) | 1977-06-21 | — | — | US | disclosed |
| US-4026887-A | Cephalosporin antibiotics | YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) | 1977-05-31 | — | — | US | disclosed |
| US-3994875-A | CEPHALOSPORINS, PENICILLINS | YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) | 1976-11-30 | — | — | US | disclosed |
| US-3948904-A | ANTIBIOTICS | YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) | 1976-04-06 | — | — | US | disclosed |