Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL440760 | 0.77 | CDC25B (0.38) | CES1 | |
| SCHEMBL2452850 | 0.75 | IDO1 (0.41) | CES1 | |
| SCHEMBL126239 | 0.72 | CDC25B (0.33) | — | |
| SCHEMBL26205058 | 0.69 | NQO1 (0.31) | — | |
| SCHEMBL11311853 | 0.67 | CDC25B (0.31) | — | |
| SCHEMBL8321788 | 0.65 | — | — | |
| SCHEMBL10533241 | 0.65 | — | — | |
| SCHEMBL10537369 | 0.64 | — | — | |
| SCHEMBL20511815 | 0.63 | PARP1 (0.46) | GPR84CES1NISCHKDM1AHTR1A | |
| SCHEMBL20511816 | 0.63 | PARP1 (0.46) | GPR84CES1NISCHKDM1AHTR1A |
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-1996031469-A1 | N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF | NOVO NORDISK A/S (DK) | 1996-10-10 | — | — | WO | disclosed |