Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | EDNRB | P24530 | 2/20 | 0.41 |
| ▸ | EDNRA | P25101 | 2/20 | 0.41 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8552481 | 0.92 | AKR1C2 (0.51) | AKR1C2PTPN1ALDH1A1KDM4EHPGD | |
| SCHEMBL8551010 | 0.77 | KDM4E (0.47) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL8591475 | 0.72 | PTPN1 (0.42) | PTPN1ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL8548287 | 0.67 | GABRA1 (0.46) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| Deschlorobenzoyl Indomethacin SCHEMBL454792 | 0.67 | AKR1C2 (1.00) | AKR1C2ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL19583379 | 0.67 | GABRA1 (0.57) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL13302308 | 0.66 | PTPN5 (0.55) | AKR1C2ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL16756062 | 0.66 | KDM4E (0.48) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL2558336 | 0.66 | PTGDR2 (0.54) | ALDH1A1KDM4EHPGDMAPTRAB9A | |
| SCHEMBL25685569 | 0.66 | POLB (0.64) | PTPN1KDM4EMAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0863898-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | MERCK PATENT GmbH (DE) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997019077-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1997-05-29 | — | — | WO | disclosed |