Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10405701 | 1.00 | IDO1 (0.48) | IDO1GAAL3MBTL1CYP2D6DPP4 | |
| SCHEMBL16191251 | 0.93 | IDO1 (0.44) | IDO1GAAL3MBTL1CYP2D6DPP4 | |
| SCHEMBL16191052 | 0.91 | IDO1 (0.42) | IDO1GAAL3MBTL1CYP2D6DPP4 | |
| SCHEMBL29054036 | 0.91 | GAA (0.52) | IDO1GAAL3MBTL1CYP2D6ALDH1A1 | |
| SCHEMBL7823538 | 0.91 | GAA (0.57) | IDO1GAAL3MBTL1ALDH1A1MCOLN3 | |
| SCHEMBL28601137 | 0.89 | FFAR1 (0.51) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29054020 | 0.89 | GAA (0.55) | IDO1GAAL3MBTL1ALDH1A1MCOLN3 | |
| SCHEMBL4603729 | 0.89 | GAA (0.55) | IDO1GAAL3MBTL1ALDH1A1MCOLN3 | |
| SCHEMBL9346796 | 0.86 | GAA (0.41) | IDO1GAAL3MBTL1ALDH1A1TAAR1 | |
| SCHEMBL16191465 | 0.86 | GAA (0.41) | IDO1GAAL3MBTL1ALDH1A1TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103261167-B | 6 of replacement, 6-condenses nitrogen-containing heterocycle compound and uses thereof | HOFFMAN-LA ROCHE LTD. (CH) | 2016-05-04 | — | — | CN | disclosed |