Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20439011 | 0.83 | KDM1A (0.41) | SLC6A2SLC6A4SLC6A3CYP2D6KDM1A | |
| SCHEMBL19995575 | 0.74 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3CYP2D6HTR2A | |
| SCHEMBL28298510 | 0.74 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3CYP2D6HTR2A | |
| SCHEMBL20438982 | 0.73 | KDM1A (0.40) | SLC6A2SLC6A4SLC6A3CYP2D6KDM1A | |
| SCHEMBL20438928 | 0.73 | KDM1A (0.51) | KDM1AMAOBHTR2AHTR2CKCNH2 | |
| SCHEMBL20438980 | 0.72 | HTR2A (0.45) | SLC6A2SLC6A4SLC6A3KDM1AHTR2A | |
| SCHEMBL178948 | 0.72 | KDM1A (0.60) | SLC6A2SLC6A4SLC6A3KDM1ADPP4 | |
| SCHEMBL179047 | 0.71 | KDM1A (0.58) | SLC6A2SLC6A4SLC6A3KDM1AHTR2C | |
| SCHEMBL16163347 | 0.70 | KDM1A (0.55) | SLC6A2SLC6A4SLC6A3CYP2D6KDM1A | |
| SCHEMBL15054723 | 0.70 | KDM1A (0.55) | SLC6A2SLC6A4SLC6A3CYP2D6KDM1A |
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-2018137555-A1 | POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUND DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF | 浙江大学 | 2018-08-02 | — | — | WO | disclosed |