Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.57 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | TOP1 | P11387 | 1/20 | 0.52 |
| ▸ | TOP2A | P11388 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 6/20 | 0.46 |
| ▸ | MAOB | P27338 | 6/20 | 0.46 |
| ▸ | ACHE | P22303 | 5/20 | 0.46 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10743383 | 0.86 | CHEK2 (0.43) | CYP1A1CYP1A2CYP1B1PARP1TOP1 | |
| SCHEMBL10736317 | 0.85 | MAOB (0.51) | CYP1A1CYP1A2CYP1B1PARP1TOP1 | |
| SCHEMBL9636316 | 0.84 | CYP1A1 (0.55) | CYP1A1CYP1A2CYP1B1PARP1TOP1 | |
| SCHEMBL10061954 | 0.82 | CYP1A1 (0.69) | CYP1A1CYP1A2CYP1B1PARP1TOP1 | |
| SCHEMBL10739641 | 0.82 | ALDH1A1 (0.42) | CYP1A1CYP1A2CYP1B1ACHECHRNB4 | |
| SCHEMBL10739185 | 0.82 | ALDH1A1 (0.57) | ACHECHRNB4CHRNA3CHRNA7KDM4E | |
| SCHEMBL10739175 | 0.81 | TOP1 (0.41) | CYP1A1CYP1A2CYP1B1PARP1TOP1 | |
| SCHEMBL10735063 | 0.81 | CYP1A1 (0.39) | CYP1A1CYP1A2CYP1B1PARP1TOP1 | |
| SCHEMBL10742581 | 0.80 | ATP4A (0.57) | CYP1A2ACHECHRNB4CHRNA3CHRNA7 | |
| SCHEMBL10733269 | 0.80 | CHRNB4 (0.54) | CYP1A2ACHECHRNB4CHRNA3CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| 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-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 |