Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
| ▸ | PTGIR | P43119 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL4606083 | 0.94 | PARP1 (0.52) | PARP1RAB9AALDH1A1NPC1JAK2 | |
| SCHEMBL2092268 | 0.85 | RAB9A (0.53) | RAB9AALDH1A1NPC1JAK2HTT | |
| SCHEMBL2092265 | 0.84 | RAB9A (0.48) | RAB9AALDH1A1NPC1JAK2HTT | |
| SCHEMBL77001 | 0.83 | TRPM8 (0.53) | RAB9AALDH1A1NPC1HTTPTGIR | |
| SCHEMBL77003 | 0.83 | TRPM8 (0.53) | RAB9AALDH1A1NPC1HTTPTGIR | |
| SCHEMBL27493421 | 0.83 | RAB9A (0.40) | PARP1RAB9AALDH1A1NPC1JAK2 | |
| Methyl Alcohol SCHEMBL28147253 | 0.82 | NPSR1 (0.58) | PARP1RAB9AALDH1A1NPC1HTT | |
| SCHEMBL75883 | 0.82 | NPSR1 (0.64) | PARP1RAB9AALDH1A1NPC1HTT | |
| SCHEMBL75885 | 0.82 | NPSR1 (0.64) | PARP1RAB9AALDH1A1NPC1HTT | |
| SCHEMBL28148401 | 0.82 | NPSR1 (0.64) | PARP1RAB9AALDH1A1NPC1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2945950-A1 | ISOMANNIDE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE | SANOFI (FR) | 2015-11-25 | — | — | EP | disclosed |
| WO-2014111465-A1 | ISOMANNIDE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE | SANOFI (FR) | 2014-07-24 | — | — | WO | disclosed |
| EP-2593226-A1 | PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS | Abbvie Inc. (US) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012009698-A1 | PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS | ABBOTT LABORATORIES (US) | 2012-01-19 | — | — | WO | disclosed |