Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | AURKA | O14965 | 2/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21159119 | 0.88 | ALDH1A1 (0.40) | RAB9AALDH1A1XBP1HTTLMNA | |
| SCHEMBL10909572 | 0.72 | IDO1 (0.53) | RAB9AALDH1A1XBP1HTTLMNA | |
| SCHEMBL19916990 | 0.68 | JAK3 (0.42) | CYP3A4 | |
| SCHEMBL21159272 | 0.68 | JAK3 (0.42) | CYP3A4 | |
| SCHEMBL16138349 | 0.67 | ALDH1A1 (0.50) | RAB9AALDH1A1XBP1HTTLMNA | |
| SCHEMBL17577868 | 0.67 | ALDH1A1 (0.50) | RAB9AALDH1A1XBP1HTTLMNA | |
| SCHEMBL3217680 | 0.66 | ALDH1A1 (0.49) | RAB9AALDH1A1XBP1HTTLMNA | |
| SCHEMBL12182299 | 0.66 | CHRNB2 (0.60) | RAB9AALDH1A1XBP1HTTIDO1 | |
| SCHEMBL12182270 | 0.66 | CHRNB2 (0.60) | RAB9AALDH1A1XBP1HTTIDO1 | |
| SCHEMBL3053926 | 0.66 | CHRNB2 (0.60) | RAB9AALDH1A1XBP1HTTIDO1 |
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-3505171-A1 | BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND | Mitsubishi Tanabe Pharma Corporation (JP) | 2019-07-03 | — | — | EP | disclosed |