Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.63 |
| ▸ | MAOB | P27338 | 4/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.45 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10733770 | 0.85 | ALDH1A1 (0.63) | ALDH1A1MAOBL3MBTL1CYP1A1CYP1A2 | |
| SCHEMBL19640030 | 0.84 | MAOB (0.48) | ALDH1A1MAOBL3MBTL1CYP1A2TUBB1 | |
| SCHEMBL702232 | 0.81 | ALDH1A1 (0.71) | ALDH1A1MAOBL3MBTL1CYP1A1CYP1A2 | |
| SCHEMBL31404213 | 0.80 | CA12 (0.55) | ALDH1A1MAOBKDM4ETSHRGAA | |
| SCHEMBL1276085 | 0.80 | CA12 (0.55) | ALDH1A1MAOBKDM4ETSHRGAA | |
| SCHEMBL1566049 | 0.80 | ALDH1A1 (0.69) | ALDH1A1MAOBL3MBTL1CYP1A1CYP1A2 | |
| SCHEMBL3905573 | 0.80 | ALDH1A1 (0.69) | ALDH1A1MAOBL3MBTL1CYP1A1CYP1A2 | |
| SCHEMBL14539352 | 0.80 | ALDH1A1 (0.69) | ALDH1A1MAOBL3MBTL1CYP1A1CYP1A2 | |
| SCHEMBL5654406 | 0.79 | ALDH1A1 (0.63) | ALDH1A1MAOBL3MBTL1CYP1A1CYP1A2 | |
| SCHEMBL96291 | 0.78 | ALDH1A1 (1.00) | ALDH1A1L3MBTL1CYP1A1CYP1A2CYP1B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5104881-A | 2-ARYLIMIDAZOPYRIDINES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-04-14 | — | — | US | disclosed |
| US-4654344-A | ALSO AFFECT BLOOD PRESSURE AND MYOCARDIAL CONTRACTIONS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-03-31 | — | — | US | disclosed |
| EP-0093951-B1 | 2-ARYL-TETRAAZAINDENES | MERCK PATENT GmbH (DE) | 1986-10-29 | — | — | EP | disclosed |
| US-4616090-A | 2-arylimidazopyridines intermediates | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-10-07 | — | — | US | disclosed |
| EP-0072926-B1 | 2-ARYLIMIDAZOPYRIDINES | MERCK PATENT GmbH (DE) | 1986-09-24 | — | — | EP | disclosed |
| US-4575505-A | Pharmaceutical compositions containing 2-aryltetraazaindenes for treating ulcers or cardiac insufficiency or blood pressure abnormalities | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-03-11 | — | — | US | disclosed |
| US-4477454-A | INDOTROPIC AGENTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-10-16 | — | — | US | disclosed |
| EP-0093951-A2 | 2-Aryl-tetraazaindenes | MERCK PATENT GmbH (DE) | 1983-11-16 | — | — | EP | disclosed |
| EP-0072926-A1 | 2-Arylimidazopyridines | MERCK PATENT GmbH (DE) | 1983-03-02 | — | — | EP | disclosed |