Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.66 |
| ▸ | HTT | P42858 | 2/20 | 0.66 |
| ▸ | DRD4 | P21917 | 5/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL16825126 | 0.98 | ALDH1A1 (0.64) | ALDH1A1HTTDRD4SIGMAR1GAA | |
| SCHEMBL8325210 | 0.98 | ALDH1A1 (0.63) | ALDH1A1HTTDRD4SIGMAR1GAA | |
| SCHEMBL13559777 | 0.86 | CHKA (0.56) | ALDH1A1DRD4SIGMAR1TMEM97 | |
| SCHEMBL28191613 | 0.85 | GAA (0.66) | ALDH1A1SIGMAR1GAAMAPK1 | |
| SCHEMBL2733863 | 0.85 | CYP1A2 (0.54) | ALDH1A1HTTDRD4SIGMAR1TMEM97 | |
| SCHEMBL23179563 | 0.84 | HTR7 (0.66) | DRD4SIGMAR1TMEM97 | |
| SCHEMBL16884151 | 0.83 | GAA (0.63) | ALDH1A1SIGMAR1GAAMAPK1 | |
| SCHEMBL17946120 | 0.82 | DRD4 (0.55) | ALDH1A1DRD4SIGMAR1TMEM97 | |
| SCHEMBL30815930 | 0.82 | DRD4 (0.55) | ALDH1A1DRD4SIGMAR1TMEM97 | |
| SCHEMBL27543073 | 0.81 | GAA (0.57) | ALDH1A1GAA |
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-3083584-A1 | NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS | Sunshine Lake Pharma Co., Ltd. (CN) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015090232-A1 | NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2015-06-25 | — | — | WO | disclosed |
| EP-1592426-B1 | 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2007-12-19 | — | — | EP | disclosed |
| WO-2004069256-A1 | 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2004-08-19 | — | — | WO | disclosed |