Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | AGXT | P21549 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8191120 | 0.75 | CYP2A6 (0.52) | CYP2A6CYP19A1NPC1RAB9AMAPT | |
| SCHEMBL11346187 | 0.73 | CYP2A6 (0.50) | CYP2A6CYP19A1NPC1RAB9AMAPT | |
| SCHEMBL2610142 | 0.73 | UGT2B7 (0.43) | CYP2A6MEN1KMT2ACYP2D6HIF1A | |
| SCHEMBL3295316 | 0.71 | TRPA1 (0.42) | NPC1RAB9AMAPTMEN1HTT | |
| SCHEMBL2610138 | 0.71 | TRPA1 (0.42) | NPC1RAB9AMAPTMEN1HTT | |
| SCHEMBL7085423 | 0.70 | ALDH1A1 (0.42) | RAB9AMAPTMEN1HTTKMT2A | |
| SCHEMBL18638445 | 0.70 | CYP2A6 (0.46) | CYP2A6CYP19A1MAPTMEN1KMT2A | |
| SCHEMBL3584078 | 0.69 | CYP2A6 (0.49) | CYP2A6CYP19A1NPC1RAB9AMAPT | |
| SCHEMBL21638930 | 0.69 | KMT2A (0.41) | MAPTMEN1KMT2ASMN1; SMN2ADRA2A | |
| SCHEMBL12896041 | 0.69 | CYP2D6 (0.49) | CYP2A6SMN1; SMN2CYP2D6HIF1AAGXT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4533656-A | PYRROLE OR PYRIDINE CARBONYLSULFONAMIDES FOR TREATMENT OF HYPERTENSION OR CONJESTIVE HEART FAILURE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-08-06 | — | — | US | disclosed |
| EP-0099709-A2 | Amide derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-02-01 | — | — | EP | disclosed |