Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 16/20 | 0.61 |
| ▸ | AKR1C2 | P52895 | 16/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.46 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15541605 | 0.81 | AKR1C3 (0.50) | AKR1C3AKR1C2ALDH1A1AKR1C1TSHR | |
| SCHEMBL15541603 | 0.81 | AKR1C3 (0.50) | AKR1C3AKR1C2ALDH1A1AKR1C1TSHR | |
| SCHEMBL4482654 | 0.80 | VCAM1 (0.53) | AKR1C3AKR1C2ALDH1A1AKR1C1CYP1A2 | |
| SCHEMBL10368126 | 0.80 | AKR1C3 (0.49) | AKR1C3AKR1C2ALDH1A1AKR1C1CYP1A2 | |
| SCHEMBL4482651 | 0.80 | VCAM1 (0.53) | AKR1C3AKR1C2ALDH1A1AKR1C1CYP1A2 | |
| SCHEMBL17259410 | 0.80 | AKR1C3 (0.49) | AKR1C3AKR1C2ALDH1A1AKR1C1CYP1A2 | |
| SCHEMBL11824409 | 0.80 | ADAMTS4 (0.46) | AKR1C3AKR1C2ALDH1A1TDP1PTGS2 | |
| SCHEMBL4201800 | 0.78 | AKR1C3 (0.76) | AKR1C3AKR1C2PTGS2AKR1B10AKR1C4 | |
| SCHEMBL10713987 | 0.78 | AKR1C3 (0.54) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL98746 | 0.76 | ALDH1A1 (0.53) | AKR1C3AKR1C2ALDH1A1TDP1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9518050-B2 | Cyclohexyl and quinuclidinyl carbamate derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activity | ALMIRALL, S.A. (ES) | 2016-12-13 | — | — | US | disclosed |