Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 10/20 | 0.55 |
| ▸ | CYP11B2 | P19099 | 9/20 | 0.55 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | QPCT | Q16769 | 1/20 | 0.49 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.49 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.49 |
| ▸ | CYP51A1 | Q16850 | 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 | |
|---|---|---|---|---|
| SCHEMBL11103538 | 0.85 | CYP19A1 (0.54) | CYP19A1TBXAS1 | |
| SCHEMBL11101069 | 0.84 | HMOX1 (0.55) | CYP19A1TBXAS1 | |
| SCHEMBL11099534 | 0.83 | HMOX1 (0.54) | CYP19A1TBXAS1 | |
| SCHEMBL2529997 | 0.77 | CYP11B1 (0.86) | CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6 | |
| SCHEMBL11097452 | 0.75 | CYP11B1 (0.55) | CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6 | |
| SCHEMBL1024261 | 0.75 | CYP11B1 (0.84) | CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6 | |
| SCHEMBL7287414 | 0.74 | PDE3B (0.63) | CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6 | |
| Hydrochloric Acid SCHEMBL1775141 | 0.74 | CYP11B1 (0.81) | CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6 | |
| SCHEMBL2033990 | 0.71 | CYP11B1 (1.00) | CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6 | |
| SCHEMBL6878562 | 0.71 | CYP11B1 (0.70) | CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0122419-A2 | Substituted 3-mercaptopyridazines, their 3-alkylthio derivatives and processes for their preparation | A. Nattermann & Cie. GmbH (DE) | 1984-10-24 | — | — | EP | disclosed |