Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.44 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.42 |
| ▸ | OGA | O60502 | 2/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL30340993 | 0.82 | KCNA5 (0.55) | CYP2D6CYP3A4CYP3A5KCNN4KCNA5 | |
| SCHEMBL8658684 | 0.80 | OGA (0.38) | CYP2D6OGAMC4RCYP19A1 | |
| SCHEMBL8661303 | 0.80 | OGA (0.38) | CYP2D6OGAMC4RCYP19A1 | |
| SCHEMBL4601165 | 0.80 | CYP2D6 (0.70) | CYP2D6MC4R | |
| SCHEMBL8099850 | 0.80 | CYP2D6 (0.70) | CYP2D6MC4R | |
| SCHEMBL19613500 | 0.80 | CYP2D6 (0.70) | CYP2D6MC4R | |
| SCHEMBL1586528 | 0.80 | CYP2D6 (0.70) | CYP2D6MC4R | |
| SCHEMBL30233132 | 0.79 | KCNA5 (0.53) | CYP2D6KCNA5MC4R | |
| SCHEMBL16026426 | 0.79 | KCNA5 (0.53) | CYP2D6KCNA5MC4R | |
| SCHEMBL211238 | 0.78 | CYP3A4 (0.52) | CYP2D6CYP3A4CYP3A5 |
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-5691323-A | BENZIMIDAZOL-2-ONES | MERCK & CO., INC. (US) | 1997-11-25 | — | — | US | disclosed |
| WO-1996013262-A1 | MUSCARINE ANTAGONISTS | MERCK & CO., INC. (US) | 1996-05-09 | — | — | WO | disclosed |