Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.66 |
| ▸ | ACHE | P22303 | 5/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.47 |
| ▸ | MIF | P14174 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9162336 | 0.87 | ALDH1A1 (0.83) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL18274493 | 0.84 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2ACHEKDM4EMEN1 | |
| SCHEMBL11158619 | 0.83 | RPS6KB1 (0.54) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL2784285 | 0.83 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL18274512 | 0.82 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL15129656 | 0.81 | RPS6KB1 (0.46) | ALDH1A1SMN1; SMN2ACHERPS6KB1RAB9A | |
| SCHEMBL24994428 | 0.80 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL1019672 | 0.80 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL22854282 | 0.80 | ALDH1A1 (0.77) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL7296589 | 0.80 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2931717-B1 | INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-12-07 | — | — | EP | disclosed |
| EP-0585080-A2 | Oxygenated heterocyclic compounds, pharmaceutical compositions containing them | OXACO S.A. (CH) | 1994-03-02 | — | — | EP | disclosed |
| EP-0010347-B1 | NOVEL SUBSTITUTED OMEGA-AROYL(PROPIONYL OR BUTYRYL)-L-PROLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION | AMERICAN CYANAMID COMPANY (US) | 1983-11-09 | — | — | EP | disclosed |
| US-4226775-A | HYPOTENSIVE AGENTS | AMERICAN CYANAMID COMPANY (US) | 1980-10-07 | — | — | US | disclosed |
| EP-0010347-A1 | Novel substituted omega-aroyl(propionyl or butyryl)-L-prolines, pharmaceutical compositions containing them and processes for their preparation | AMERICAN CYANAMID COMPANY (US) | 1980-04-30 | — | — | EP | disclosed |
| US-4117130-A | 6-PHENYL-1,2,4-TRIAZOLO(4,3-B)PYRIDAZINES | AMERICAN CYANAMID COMPANY (US) | 1978-09-26 | — | — | US | disclosed |
| US-4112095-A | 6-Phenyl-1,2,4-triazolo[4,3-b]pyridazine hypotensive agents | AMERICAN CYANAMID COMPANY (US) | 1978-09-05 | — | — | US | disclosed |