Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | IAPP | P10997 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9532328 | 0.86 | KMT2A (0.43) | CES2CES1ALDH1A1IAPPMAPT | |
| SCHEMBL9531031 | 0.83 | — | — | |
| SCHEMBL7749515 | 0.81 | CA1 (0.31) | CA1 | |
| SCHEMBL109486 | 0.80 | CA1 (0.50) | CES2CES1HDAC1HDAC2HDAC3 | |
| SCHEMBL2404264 | 0.78 | ALDH1A1 (0.46) | CES2CES1HDAC1HDAC2HDAC3 | |
| SCHEMBL9530489 | 0.78 | — | — | |
| SCHEMBL26101257 | 0.76 | TSHR (0.44) | CES2CES1HDAC1HDAC2HDAC3 | |
| SCHEMBL11069921 | 0.76 | TSHR (0.40) | CES2CES1HDAC1HDAC2HDAC3 | |
| SCHEMBL22339977 | 0.76 | ALDH1A1 (0.45) | CES2CES1HDAC1HDAC2HDAC3 | |
| SCHEMBL6769545 | 0.76 | GABRP (0.56) | CES2CES1HDAC1HDAC2HDAC3 |
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-0555331-A1 | N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. | SEARLE & CO (US) | 1993-08-18 | — | — | EP | disclosed |