Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | EDNRB | P24530 | 6/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | EDNRA | P25101 | 7/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6314851 | 0.84 | EDNRB (0.75) | EDNRBEDNRANPSR1TSHR | |
| SCHEMBL6314927 | 0.81 | EDNRB (0.79) | ALDH1A1EDNRBHPGDEDNRAMAPK1 | |
| SCHEMBL8185188 | 0.74 | KDM4E (0.52) | KDM4EALDH1A1EDNRBHSD17B10L3MBTL1 | |
| SCHEMBL8786834 | 0.73 | KDM4E (0.57) | KDM4ELMNAEGFR | |
| SCHEMBL8580902 | 0.73 | EDNRB (0.75) | ALDH1A1EDNRBHSD17B10HPGDLMNA | |
| Graveoline SCHEMBL25422999 | 0.71 | KDM4E (1.00) | KDM4EALDH1A1EDNRBHSD17B10L3MBTL1 | |
| Graveoline SCHEMBL29411836 | 0.71 | KDM4E (1.00) | KDM4EALDH1A1EDNRBHSD17B10L3MBTL1 | |
| Graveoline SCHEMBL29411839 | 0.71 | KDM4E (1.00) | KDM4EALDH1A1EDNRBHSD17B10L3MBTL1 | |
| SCHEMBL13802257 | 0.71 | PTGS1 (0.64) | LMNACYP1A2CYP2D6HIF1ANPSR1 | |
| SCHEMBL6315734 | 0.71 | EDNRB (1.00) | KDM4EALDH1A1EDNRBEDNRA |
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 |
|---|---|---|---|---|---|---|---|
| US-5731321-A | Endothelin receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-03-24 | — | — | US | disclosed |