Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | KIF18A | Q8NI77 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ACKR3 | P25106 | 4/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | FLT1 | P17948 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24757338 | 1.00 | AKR1C3 (0.39) | AKR1C3AKR1C2ANO1CHRM2CHRM1 | |
| SCHEMBL24906338 | 0.87 | SCN10A (0.43) | AKR1C3AKR1C2KIF18AALDH1A1MEN1 | |
| SCHEMBL24906520 | 0.87 | SCN10A (0.43) | AKR1C3AKR1C2KIF18AALDH1A1MEN1 | |
| SCHEMBL24906523 | 0.87 | SCN10A (0.43) | AKR1C3AKR1C2KIF18AALDH1A1MEN1 | |
| SCHEMBL24757786 | 0.84 | ANO1 (0.44) | AKR1C3AKR1C2ANO1 | |
| SCHEMBL30141516 | 0.82 | ANO1 (0.40) | AKR1C3AKR1C2ANO1 | |
| SCHEMBL24757840 | 0.82 | AKR1C3 (0.40) | AKR1C3AKR1C2CHRM2CHRM1CHRM3 | |
| SCHEMBL24906478 | 0.81 | SCN10A (0.48) | — | |
| SCHEMBL24906419 | 0.81 | SCN10A (0.45) | AKR1C3AKR1C2MEN1KMT2A | |
| SCHEMBL24758438 | 0.81 | ANO1 (0.38) | AKR1C3AKR1C2ANO1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022263498-A1 | SUBSTITUTED PYRAZOLE AMIDES | Grünenthal GmbH (DE) | 2022-12-22 | — | — | WO | disclosed |