Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9570713 | 0.80 | ACP3 (0.40) | AOC3CYP1A2 | |
| SCHEMBL9570800 | 0.80 | NPSR1 (0.40) | AOC3CYP1A2CYP3A4CYP2D6MAPK1 | |
| SCHEMBL10718983 | 0.80 | PGK1 (0.36) | CES2CES1 | |
| SCHEMBL9570750 | 0.80 | ACP3 (0.47) | CES2IDO1TDO2MAPK1 | |
| SCHEMBL1225030 | 0.78 | CYP2D6 (0.39) | CYP2D6MAPK1 | |
| SCHEMBL2562362 | 0.76 | HDAC4 (0.47) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL7917545 | 0.76 | HDAC4 (0.47) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL9570876 | 0.76 | IDO1 (0.35) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL9570705 | 0.76 | CHRM2 (0.46) | CES2CES1NFE2L2AOC3 | |
| SCHEMBL9570822 | 0.76 | CES2 (0.40) | CES2CES1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5981529-A | Substituted indolylpropyl-piperazine derivatives as 5-HT1D α agonists | MERCK SHARP & DOHME LIMITED (GB) | 1999-11-09 | — | — | US | disclosed |
| EP-0854714-A1 | SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT 1DALPHA? AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1998-07-29 | — | — | EP | disclosed |
| WO-1997011695-A1 | SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT1DALPHA AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-04-03 | — | — | WO | disclosed |
| EP-0545891-A2 | Aldehyde compounds and derivatives thereof useful as intermediates in the preparation of insectical ether compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-06-09 | — | — | EP | disclosed |
| EP-0240978-A2 | Ether compounds, process for their preparation, compositions containing the same and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1987-10-14 | — | — | EP | disclosed |