Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 3/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL8246353 | 0.81 | ALOX5 (0.47) | ALOX5CES2CES1HDAC1IDO1 | |
| SCHEMBL10402082 | 0.75 | OPRK1 (0.44) | ALOX5HDAC1 | |
| SCHEMBL8645113 | 0.75 | OPRK1 (0.44) | ALOX5HDAC1 | |
| SCHEMBL8253342 | 0.71 | CTSS (0.46) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL3976361 | 0.71 | ALOX5 (0.51) | ALOX5CES2CES1HDAC1IDO1 | |
| SCHEMBL10759383 | 0.71 | ALOX5 (0.56) | ALOX5CES2CES1HDAC1IDO1 | |
| SCHEMBL4603992 | 0.71 | ALOX5 (0.51) | ALOX5CES2CES1HDAC1IDO1 | |
| SCHEMBL8255743 | 0.71 | ALOX5 (0.51) | ALOX5CES2CES1HDAC1IDO1 | |
| SCHEMBL11521371 | 0.70 | ALOX5 (0.44) | ALOX5CES2CES1HDAC1IDO1 | |
| SCHEMBL9814548 | 0.69 | ALOX5 (0.50) | ALOX5CES2CES1HDAC1IDO1 |
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-2003016311-A1 | TRICYCLIC PYRIDIN-2-ONE ANALOGUES AS LIGANDS FOR GABA-A RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2003-02-27 | — | — | WO | disclosed |