Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 7/20 | 0.35 |
| ▸ | MAOA | P21397 | 6/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10740172 | 0.89 | KDM4E (0.33) | KDM4ENPC1USP2ALDH1A1LMNA | |
| SCHEMBL9636150 | 0.87 | TOP1 (0.38) | TOP1TOP2ACYP1A1CYP1A2CYP1B1 | |
| SCHEMBL10738584 | 0.86 | NPC1 (0.45) | CYP1A2KDM4ENPC1USP2ALDH1A1 | |
| SCHEMBL10739175 | 0.84 | TOP1 (0.41) | TOP1TOP2ACYP1A1CYP1A2CYP1B1 | |
| SCHEMBL10735063 | 0.84 | CYP1A1 (0.39) | TOP1TOP2ACYP1A1CYP1A2CYP1B1 | |
| SCHEMBL10733841 | 0.83 | PDE2A (0.46) | TOP1TOP2ACYP1A1CYP1A2CYP1B1 | |
| SCHEMBL10742005 | 0.83 | AMY1A (0.46) | KDM4ENPC1ALDH1A1LMNATP53 | |
| SCHEMBL10740425 | 0.83 | LMNA (0.39) | MAOAKDM4ENPC1USP2ALDH1A1 | |
| SCHEMBL10736446 | 0.83 | TOP1 (0.41) | TOP1TOP2ACYP1A1CYP1A2CYP1B1 | |
| SCHEMBL10740337 | 0.81 | TOP1 (0.41) | TOP1TOP2ACYP1A1CYP1A2CYP1B1 |
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 4 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 |