Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11172866 | 0.75 | CXCR3 (0.52) | CXCR3HTR2AAPPCYP3A4IDO1 | |
| SCHEMBL11957480 | 0.74 | CYP3A4 (0.52) | APPCYP3A4IDO1 | |
| SCHEMBL6140645 | 0.71 | S1PR1 (0.40) | LMNA | |
| SCHEMBL23527906 | 0.71 | CXCR3 (0.46) | CXCR3HTR2AAPPCYP3A4IDO1 | |
| SCHEMBL12086000 | 0.70 | APP (0.43) | CXCR3APPCYP3A4IDO1CYP1A2 | |
| SCHEMBL12310009 | 0.68 | CA1 (0.47) | CYP3A4IDO1 | |
| SCHEMBL22046323 | 0.68 | APEX1 (0.40) | APPCYP3A4IDO1CYP1A2CYP2D6 | |
| SCHEMBL23460102 | 0.68 | HRH4 (0.52) | CXCR3HTR2ACYP1A2CYP2D6CHRM2 | |
| SCHEMBL14182577 | 0.67 | MAPK1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL23459985 | 0.67 | CYP1A2 (0.50) | CXCR3HTR2ACYP1A2CYP2D6APEX1 |
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-3418280-B1 | COMPOUNDS AS MODULATORS OF ROR GAMMA | BOEHRINGER INGELHEIM INT (DE) | 2023-07-12 | — | — | EP | disclosed |