Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 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 | |
|---|---|---|---|---|
| SCHEMBL16464581 | 1.00 | RAB9A (0.47) | RAB9ANPC1NR1H4CDK5CDK5R1 | |
| SCHEMBL3975733 | 1.00 | RAB9A (0.47) | RAB9ANPC1NR1H4CDK5CDK5R1 | |
| Hydrochloric Acid SCHEMBL17064000 | 0.99 | RAB9A (0.46) | RAB9ANPC1NR1H4CDK5CDK5R1 | |
| Hydrochloric Acid SCHEMBL17063997 | 0.99 | RAB9A (0.46) | RAB9ANPC1NR1H4CDK5CDK5R1 | |
| SCHEMBL2898404 | 0.85 | CASP3 (0.41) | NR1H4CASP3SENP7SENP6 | |
| SCHEMBL8226952 | 0.85 | NR1H4 (0.39) | NR1H4 | |
| SCHEMBL2898408 | 0.85 | CASP3 (0.41) | NR1H4CASP3SENP7SENP6 | |
| SCHEMBL2899344 | 0.85 | RPS6KB1 (0.42) | NR1H4ALDH1A1SCN9A | |
| SCHEMBL5483346 | 0.85 | RAB9A (0.48) | RAB9ANPC1NR1H4ALDH1A1SMN1; SMN2 | |
| SCHEMBL2899343 | 0.85 | RPS6KB1 (0.42) | NR1H4ALDH1A1SCN9A |
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-2906553-A1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2015-08-19 | — | — | EP | disclosed |
| WO-2014057435-A1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO )ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2014-04-17 | — | — | WO | disclosed |
| WO-2009054792-A1 | AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | WO | disclosed |