Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 5/20 | 0.60 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | EGFR | P00533 | 4/20 | 0.47 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6922498 | 0.85 | PPARG (0.66) | PPARGKDM4EALDH1A1EGFRCYP1A2 | |
| SCHEMBL6624875 | 0.83 | KDM4E (0.68) | PPARGKDM4EALDH1A1EGFRSRC | |
| SCHEMBL22160189 | 0.80 | GPR17 (0.57) | PPARGGPR17KDM4EALDH1A1EGFR | |
| SCHEMBL6625732 | 0.80 | GPR17 (0.66) | PPARGGPR17KDM4EALDH1A1EGFR | |
| SCHEMBL6929600 | 0.80 | PPARG (0.66) | PPARGKDM4EALDH1A1EGFRSRC | |
| SCHEMBL6922317 | 0.80 | PPARG (0.66) | PPARGGPR17KDM4EALDH1A1TACR1 | |
| SCHEMBL8216635 | 0.79 | HPGD (0.64) | PPARGKDM4EALDH1A1EGFRCYP1A2 | |
| SCHEMBL7242395 | 0.79 | PPARG (0.61) | PPARGKDM4EALDH1A1EGFRCYP1A2 | |
| SCHEMBL6922496 | 0.77 | PPARG (0.50) | PPARGGPR17KDM4EALDH1A1EGFR | |
| SCHEMBL7242795 | 0.77 | EGFR (0.68) | PPARGKDM4EALDH1A1EGFRSRC |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6518273-B1 | 2-aryl indole derivative as antagonists of tachykinins | MERCK SHARP & DOHME LTD. | 2003-02-11 | — | — | US | disclosed |
| WO-2000051984-A1 | 2-ARYL INDOLE DERIVATIVES AS ANTAGONISTS OF TACHYKININS | MERCK SHARP & DOHME LIMITED (GB) | 2000-09-08 | — | — | WO | disclosed |