Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | FADS1 | O60427 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | ASPH | Q12797 | 1/20 | 0.32 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7544426 | 0.91 | HPGD (0.42) | HPGDMAPK14KDM4CGRM4KDM4E | |
| SCHEMBL7553546 | 0.90 | KEAP1 (0.42) | KEAP1HPGDMAPK14KDM4CKDM4E | |
| SCHEMBL8804801 | 0.86 | RECQL (0.46) | HPGDPOLBRECQLALDH1A1 | |
| SCHEMBL7550244 | 0.86 | MAPK14 (0.35) | KEAP1MAPK14CHRNA7POLBKDR | |
| SCHEMBL8800986 | 0.81 | RECQL (0.48) | MAPK14GRM4POLBRECQLCES2 | |
| SCHEMBL7547613 | 0.80 | PYGL (0.42) | KEAP1HPGDMAPK14KDM4CGRM4 | |
| SCHEMBL8805528 | 0.79 | MAPK14 (0.40) | MAPK14KDM4ERECQLPRKD3FRK | |
| SCHEMBL7546982 | 0.77 | SCN10A (0.36) | HPGDKDM4ERECQLROCK2PRKD3 | |
| SCHEMBL7552945 | 0.77 | ALDH1A1 (0.49) | GRM4KDM4ECES2CES1ALDH1A1 | |
| SCHEMBL7549390 | 0.76 | ALDH1A1 (0.50) | POLBALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997049708-A9 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | — | 1998-05-22 | — | — | WO | disclosed |
| EP-0804420-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | American Cyanamid Company (US) | 1997-11-05 | — | — | EP | disclosed |
| EP-0804438-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | American Cyanamid Company (US) | 1997-11-05 | — | — | EP | disclosed |
| WO-1996022295-A9 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | — | 1996-11-14 | — | — | WO | disclosed |