Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22955553 | 0.92 | CHRM5 (0.41) | CHRM5CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL22955622 | 0.91 | KDM4E (0.45) | CYP1A2CYP2C9AHRKDM4ENPC1 | |
| SCHEMBL22955852 | 0.90 | KDM4E (0.39) | CHRM5CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL22955436 | 0.90 | CHRM5 (0.39) | CHRM5CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL22955437 | 0.89 | PTGFR (0.38) | RORC | |
| SCHEMBL22956047 | 0.88 | SMN1; SMN2 (0.45) | CYP1A2CYP2C9AHRKDM4ENPC1 | |
| SCHEMBL22955877 | 0.87 | LMNA (0.46) | KDM4ENPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL22956056 | 0.86 | SMN1; SMN2 (0.39) | CHRM5CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL22955517 | 0.86 | HPGD (0.40) | CHRM5CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL22955462 | 0.86 | KDM4E (0.40) | KDM4ENPC1GAARAB9ASMN1; SMN2 |
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-2021022061-A1 | ARYL HYDROCARBON RECEPTOR ACTIVATORS | OREGON STATE UNIVERSITY (US) | 2021-02-04 | — | — | WO | disclosed |