Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.36 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL9311203 | 0.80 | HTR1A (0.50) | HTR1ACYP3A4KDM4EALDH1A1GLA | |
| SCHEMBL7950524 | 0.69 | MTNR1A (0.33) | — | |
| SCHEMBL9311596 | 0.69 | MTNR1A (0.42) | HTR1ACYP3A4KDM4EALDH1A1GLA | |
| SCHEMBL3144482 | 0.66 | HTR1A (0.50) | HTR1ACYP3A4KDM4EALDH1A1GLA | |
| SCHEMBL12663048 | 0.64 | CYP3A4 (0.38) | HTR1ACYP3A4KDM4EALDH1A1GLA | |
| SCHEMBL4292917 | 0.63 | ESR1 (0.43) | HTR1ACYP3A4KDM4EALDH1A1GLA | |
| SCHEMBL13747480 | 0.62 | HTR1A (0.43) | HTR1ACYP3A4KDM4EALDH1A1GLA | |
| SCHEMBL11340672 | 0.60 | CHRNA7 (0.43) | HTR1ACYP3A4KDM4EALDH1A1GLA | |
| SCHEMBL29765430 | 0.60 | CHRNA7 (0.43) | HTR1ACYP3A4KDM4EALDH1A1GLA | |
| SCHEMBL13661765 | 0.60 | CYP3A4 (0.36) | HTR1ACYP3A4KDM4EALDH1A1GLA |
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-2022204150-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS | BLUE OAK PHARMACEUTICALS, INC. (US) | 2022-09-29 | — | — | WO | disclosed |