Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22955328 | 0.89 | CNR2 (0.46) | CNR2PGRALDH1A1HPGDHTT | |
| SCHEMBL22955900 | 0.88 | MAOB (0.39) | CNR2CYP3A4CYP2D6CYP2C9NR1H4 | |
| SCHEMBL22956057 | 0.87 | PGR (0.43) | CNR2PGRALDH1A1HPGDHTT | |
| SCHEMBL22956045 | 0.84 | PGR (0.43) | PGRHTTCHRM5CYP3A4CYP2D6 | |
| SCHEMBL22956055 | 0.83 | ALDH1A1 (0.38) | PGRALDH1A1HPGDHTTCHRM5 | |
| SCHEMBL22955926 | 0.82 | KDM4E (0.53) | PGRALDH1A1HPGDHTTCYP3A4 | |
| SCHEMBL22955553 | 0.82 | CHRM5 (0.41) | CHRM5CYP3A4CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL22955867 | 0.82 | KDM4E (0.42) | CNR2PGRHPGDHTTCYP3A4 | |
| SCHEMBL22955320 | 0.81 | CNR2 (0.44) | CNR2ALDH1A1HTTCYP2C9CYP1A2 | |
| SCHEMBL22955331 | 0.81 | RAB9A (0.52) | CNR2PGRALDH1A1HPGDHTT |
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 |