Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.61 |
| ▸ | HRH1 | P35367 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4662642 | 0.83 | AOC3 (0.51) | HTR2AHRH1TDP1AOC3SLC6A2 | |
| SCHEMBL22048343 | 0.82 | IDO1 (0.47) | AOC3SLC6A2SLC6A4TAAR1IDO1 | |
| SCHEMBL25261276 | 0.81 | AOC3 (0.50) | HTR2AHRH1TDP1AOC3SLC6A2 | |
| SCHEMBL14983857 | 0.81 | AOC3 (0.54) | HTR2AHRH1TDP1AOC3SLC6A2 | |
| SCHEMBL25301045 | 0.81 | AOC3 (0.50) | HTR2AHRH1AOC3SLC6A2SLC6A4 | |
| SCHEMBL6001284 | 0.81 | HTR2A (0.63) | HTR2AHRH1AOC3SLC6A2SLC6A4 | |
| Ammonia Solution, Strong SCHEMBL6001307 | 0.80 | IDO1 (0.46) | AOC3SLC6A2SLC6A4TAAR1IDO1 | |
| SCHEMBL23126406 | 0.78 | IDO1 (0.49) | HTR2AHRH1TDP1AOC3SLC6A2 | |
| Methylamine SCHEMBL6000383 | 0.78 | IDO1 (0.49) | AOC3SLC6A2SLC6A4IDO1TDO2 | |
| Ethylamine SCHEMBL6001271 | 0.77 | IDO1 (0.47) | AOC3SLC6A2SLC6A4TAAR1IDO1 |
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-2444400-B1 | SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE | SHIONOGI & CO (JP) | 2018-03-28 | — | — | EP | disclosed |