Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL15569427 | 1.00 | AKR1B1 (0.43) | AKR1B1SMN1; SMN2TAAR1GAAALDH1A1 | |
| SCHEMBL110369 | 0.83 | AKR1B1 (0.52) | AKR1B1SMN1; SMN2TAAR1GAAALDH1A1 | |
| SCHEMBL1046232 | 0.83 | GABRA1 (0.42) | TAAR1GAAALDH1A1MAPK1GABRA1 | |
| SCHEMBL3411130 | 0.83 | TAAR1 (0.43) | AKR1B1SMN1; SMN2TAAR1GAAALDH1A1 | |
| SCHEMBL30831849 | 0.79 | TAAR1 (0.43) | AKR1B1SMN1; SMN2TAAR1GAAALDH1A1 | |
| SCHEMBL695878 | 0.79 | TAAR1 (0.43) | AKR1B1SMN1; SMN2TAAR1GAAALDH1A1 | |
| SCHEMBL21768197 | 0.79 | TAAR1 (0.43) | AKR1B1SMN1; SMN2TAAR1GAAALDH1A1 | |
| SCHEMBL29649325 | 0.79 | TAAR1 (0.43) | AKR1B1SMN1; SMN2TAAR1GAAALDH1A1 | |
| SCHEMBL24393849 | 0.78 | IDO1 (0.41) | ALDH1A1LMNAGABRA1GABRG2GABRB3 | |
| SCHEMBL11462339 | 0.77 | TAAR1 (0.41) | AKR1B1SMN1; SMN2TAAR1GAAALDH1A1 |
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 |