Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 18/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 12/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 14/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | USP2 | O75604 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30057921 | 0.89 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL23003391 | 0.79 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL10856726 | 0.79 | KDM4E (0.65) | CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL21518024 | 0.76 | ALDH1A1 (0.42) | CYP3A4CYP2D6ALDH1A1MEN1KMT2A | |
| SCHEMBL21518022 | 0.76 | ALDH1A1 (0.42) | CYP3A4CYP2D6ALDH1A1MEN1KMT2A | |
| SCHEMBL23932520 | 0.76 | CYP2C9 (0.59) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL26088338 | 0.75 | CYP2D6 (0.63) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL25301235 | 0.74 | USP2 (0.43) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL21358427 | 0.73 | CYP2D6 (0.71) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL25809447 | 0.73 | CYP3A4 (0.65) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3765020-A1 | SPIROCYCLIC ROR-GAMMA MODULATORS | Escalier Biosciences B.V. (US) | 2021-01-20 | — | — | EP | disclosed |
| WO-2019177997-A1 | SPIROCYCLIC ROR-GAMMA MODULATORS | ESCALIER BIOSCIENCES B.V. (US) | 2019-09-19 | — | — | WO | disclosed |