Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 2/20 | 0.35 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.35 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 11/20 | 0.34 |
| ▸ | OXTR | P30559 | 3/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | EDNRB | P24530 | 5/20 | 0.32 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.31 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | DHPS | P49366 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8522666 | 0.76 | ALDH1A1 (0.35) | EDNRAEDNRBKDM4CNPC1RAB9A | |
| SCHEMBL7568861 | 0.75 | EDNRA (0.52) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL8522668 | 0.75 | ITGB1 (0.33) | ITGB1ITGA4ITGB7 | |
| SCHEMBL7805374 | 0.68 | EDNRA (0.66) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL7568989 | 0.68 | EDNRA (0.56) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL8295420 | 0.67 | ALDH1A1 (0.52) | KDM4C | |
| SCHEMBL7814508 | 0.66 | EDNRA (0.59) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL7566546 | 0.66 | KDM4C (0.40) | KDM4CNPC1RAB9ADHPS | |
| SCHEMBL11168223 | 0.65 | MEN1 (0.44) | KDM4CNPC1RAB9A | |
| SCHEMBL7567982 | 0.65 | NPC1 (0.44) | KDM4CNPC1RAB9A |
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-5962682-A | Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists | HOFFMANN-LA ROCHE INC. (US) | 1999-10-05 | — | — | US | disclosed |