Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.47 |
| ▸ | AXL | P30530 | 1/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8126224 | 0.87 | CYP2A6 (0.48) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL21578105 | 0.82 | CYP2A6 (0.64) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL18797731 | 0.81 | DHODH (0.55) | ALDH1A1KDM4ELMNAHTTSMN1; SMN2 | |
| SCHEMBL11965538 | 0.81 | CYP2A6 (0.78) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL29706657 | 0.80 | AXL (0.55) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL8504194 | 0.80 | AXL (0.55) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL4147013 | 0.80 | CYP2A6 (0.61) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL29257373 | 0.79 | CYP2A6 (0.48) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL2665899 | 0.77 | CYP2A6 (0.47) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL28603188 | 0.77 | CYP2A6 (0.47) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107207529-A | Bicyclic compounds as pest control agents | 拜耳作物科学股份公司 | 2017-09-26 | — | — | CN | disclosed |
| EP-1381606-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2004-01-21 | — | — | EP | disclosed |
| WO-2002074773-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-09-26 | — | — | WO | disclosed |
| US-4797490-A | Process for the preparation of 3-(2'-fluorophenyl)pyridine | PFIZER INC. (US) | 1989-01-10 | — | — | US | disclosed |
| US-4636506-A | BACTERICIDES, STAPHYLOCOCCUS | PFIZER, INC. (US) | 1987-01-13 | — | — | US | disclosed |