Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.41 |
| ▸ | PI4KA | P42356 | 1/20 | 0.40 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.40 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.38 |
| ▸ | EP300 | Q09472 | 1/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.38 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9168715 | 0.72 | CYP2A6 (0.47) | CYP2A6CYP3A4CYP2E1PI4KAPI4K2B | |
| SCHEMBL11122638 | 0.70 | CYP2A6 (0.64) | CYP2A6CYP3A4CYP2E1HTTCHRNB2 | |
| SCHEMBL31440787 | 0.70 | CYP2A6 (0.64) | CYP2A6CYP3A4CYP2E1HTTCHRNB2 | |
| SCHEMBL4485626 | 0.68 | CYP2A6 (0.47) | CYP2A6CYP3A4CYP2E1PI4KAPI4K2B | |
| SCHEMBL7306890 | 0.67 | CHRNB2 (0.42) | CYP2A6CYP3A4CYP2E1PI4KAPI4K2B | |
| SCHEMBL3612710 | 0.64 | NOTUM (0.62) | CYP2A6CYP3A4HTTCHRNB2CHRNA4 | |
| SCHEMBL5832873 | 0.63 | CYP2A6 (0.67) | CYP2A6CYP3A4CYP2E1HTTCHRNB2 | |
| SCHEMBL29482044 | 0.63 | CYP2A6 (0.53) | CYP2A6CYP3A4CYP2E1HTTCHRNB2 | |
| SCHEMBL27857562 | 0.63 | CYP2A6 (0.53) | CYP2A6CYP3A4CYP2E1HTTCHRNB2 | |
| SCHEMBL23576586 | 0.63 | PI4KA (0.46) | CYP2A6CYP3A4CYP2E1PI4KAPI4K2B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE35754-E | FOR TREATING BACTERIAL INFECTIONS | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-03-24 | — | — | US | disclosed |
| US-5710146-A | ANTIBIOTICS FOR BACTERICIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-20 | — | — | US | disclosed |
| US-5089490-A | Cephem derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-02-18 | — | — | US | disclosed |
| US-4758556-A | Cephem derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-07-19 | — | — | US | disclosed |
| US-4399131-A | Cephem derivatives | HOECHST AG (DE) | 1983-08-16 | — | — | US | disclosed |
| US-4278793-A | ANTIBIOTICS, BACTERICIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-07-14 | — | — | US | disclosed |