Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL18231177 | 1.00 | SLC6A4 (0.44) | SLC6A4SCN3AENPP2KDM1AMAOA | |
| SCHEMBL21845698 | 1.00 | SLC6A4 (0.44) | SLC6A4SCN3AENPP2KDM1AMAOA | |
| SCHEMBL15212214 | 0.86 | FFAR1 (0.54) | SLC6A4SCN3AENPP2KDM1AMAOA | |
| SCHEMBL23107750 | 0.85 | CHRNA7 (0.47) | SCN3ACYP3A4CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL19378449 | 0.85 | CHRNA7 (0.47) | SCN3ACYP3A4CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL19683268 | 0.80 | ENPP2 (0.45) | SLC6A4ENPP2KDM1AMAOAMAOB | |
| SCHEMBL13527048 | 0.80 | ENPP2 (0.45) | SLC6A4ENPP2KDM1AMAOAMAOB | |
| SCHEMBL15212285 | 0.79 | SLC6A4 (0.44) | SLC6A4KDM1AMAOAMAOBCYP3A4 | |
| SCHEMBL21845792 | 0.78 | ALDH1A1 (0.64) | SLC6A4CYP3A4CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL799523 | 0.78 | ALDH1A1 (0.64) | SLC6A4CYP3A4CYP2C9ALDH1A1CYP1A2 |
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-2020056345-A1 | ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS | AERIE PHARMACEUTICALS, INC. (US) | 2020-03-19 | — | — | WO | disclosed |