Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16623518 | 0.80 | KMT2A (0.31) | — | |
| SCHEMBL17849207 | 0.75 | ROCK1 (0.39) | RAB9A | |
| SCHEMBL16726672 | 0.73 | CDK2 (0.32) | — | |
| SCHEMBL16623533 | 0.73 | F10 (0.34) | — | |
| SCHEMBL16726665 | 0.69 | ALDH2 (0.33) | — | |
| SCHEMBL16726670 | 0.69 | — | — | |
| SCHEMBL17849208 | 0.69 | HDAC6 (0.33) | — | |
| SCHEMBL16623450 | 0.69 | NPC1 (0.32) | — | |
| SCHEMBL17849189 | 0.68 | RAB9A (0.45) | RAB9A | |
| SCHEMBL17849220 | 0.67 | MT-CO2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2857400-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-04-08 | — | — | EP | disclosed |