Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 13/20 | 0.55 |
| ▸ | CYP11B2 | P19099 | 12/20 | 0.55 |
| ▸ | TBXAS1 | P24557 | 6/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | QPCT | Q16769 | 1/20 | 0.36 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.36 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 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 | |
|---|---|---|---|---|
| SCHEMBL11101171 | 0.88 | CYP11B1 (0.41) | CYP11B1CYP11B2TBXAS1CYP19A1 | |
| SCHEMBL10646110 | 0.76 | CYP11B1 (0.53) | CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2 | |
| SCHEMBL11101855 | 0.75 | CYP11B1 (0.55) | CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2 | |
| SCHEMBL11101902 | 0.75 | CYP3A4 (0.33) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10724389 | 0.75 | CYP11B1 (0.52) | CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2 | |
| SCHEMBL13907297 | 0.74 | CYP11B1 (0.68) | CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2 | |
| SCHEMBL10727048 | 0.73 | CYP11B1 (0.50) | CYP11B1CYP11B2TBXAS1CYP19A1MAPT | |
| SCHEMBL11103000 | 0.73 | CYP11B1 (0.59) | CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2 | |
| SCHEMBL10724403 | 0.71 | CYP11B1 (0.57) | CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2 | |
| SCHEMBL10730627 | 0.71 | CYP11B1 (0.48) | CYP11B1CYP11B2TBXAS1CYP19A1MAPT |
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 |