Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13469243 | 0.83 | CYP46A1 (0.51) | CYP46A1NR4A2TDP1CA12CA1 | |
| SCHEMBL8227591 | 0.81 | CYP46A1 (0.54) | CYP46A1NR4A2TDP1CA12CA1 | |
| SCHEMBL6246970 | 0.80 | CYP46A1 (0.49) | CYP46A1NR4A2TDP1CA12CA1 | |
| SCHEMBL22175960 | 0.78 | CYP46A1 (0.44) | CYP46A1NR4A2TDP1CA12CA1 | |
| SCHEMBL2772400 | 0.77 | CYP46A1 (0.50) | CYP46A1NR4A2TDP1CA12CA1 | |
| SCHEMBL29059212 | 0.77 | NPSR1 (0.50) | CYP46A1NR4A2TDP1MAPTNPSR1 | |
| SCHEMBL6616305 | 0.75 | CYP46A1 (0.44) | CYP46A1NR4A2TDP1CA12CA1 | |
| SCHEMBL1206018 | 0.75 | CYP46A1 (0.57) | CYP46A1NR4A2TDP1CA12CA1 | |
| SCHEMBL1129416 | 0.74 | ALDH1A1 (0.64) | CYP46A1NR4A2TDP1MAPTHTT | |
| SCHEMBL1170022 | 0.73 | CYP46A1 (0.56) | CYP46A1NR4A2TDP1CA12CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0832061-B1 | BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO (JP) | 2001-09-05 | — | — | EP | disclosed |
| EP-0832061-A1 | BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996041795-A1 | BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-12-27 | — | — | WO | disclosed |