Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | EDNRB | P24530 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8551086 | 0.92 | AKR1C2 (0.49) | AKR1C2ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL8591475 | 0.75 | PTPN1 (0.42) | ALDH1A1MAPTKDM4EHPGDNPC1 | |
| SCHEMBL8553299 | 0.71 | PTPN1 (0.38) | ALDH1A1MAPTKDM4EHPGDNPC1 | |
| SCHEMBL8551010 | 0.70 | KDM4E (0.47) | ALDH1A1MAPTKDM4EHPGDNPC1 | |
| SCHEMBL5269001 | 0.69 | AKR1C2 (0.46) | AKR1C2ALDH1A1MAPTKDM4EHPGD | |
| Deschlorobenzoyl Indomethacin SCHEMBL454792 | 0.68 | AKR1C2 (1.00) | AKR1C2ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL8901116 | 0.68 | PTPN1 (0.52) | ALDH1A1MAPTKDM4EHPGDNPC1 | |
| SCHEMBL13302308 | 0.68 | PTPN5 (0.55) | AKR1C2ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL14300968 | 0.67 | KDM4E (0.58) | ALDH1A1MAPTKDM4EHPGDL3MBTL1 | |
| SCHEMBL4720481 | 0.67 | GAA (0.71) | AKR1C2ALDH1A1MAPTKDM4EHPGD |
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 |