Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.66 |
| ▸ | GAA | P10253 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
| ▸ | MC4R | P32245 | 1/20 | 0.52 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.52 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.52 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.52 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | CASP7 | P55210 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL22813680 | 0.89 | SIGMAR1 (0.62) | SIGMAR1KDM4EALDH1A1HRH3FKBP1A | |
| SCHEMBL14218060 | 0.87 | SIGMAR1 (0.67) | SIGMAR1GAAKDM4EALDH1A1HRH3 | |
| SCHEMBL13624853 | 0.86 | SIGMAR1 (0.61) | SIGMAR1MAPTKDM4EALDH1A1HRH3 | |
| SCHEMBL8324239 | 0.86 | FKBP1A (0.72) | SIGMAR1GAAKDM4EALDH1A1FKBP1A | |
| SCHEMBL23009037 | 0.83 | ME2 (0.68) | SIGMAR1GAAMAPTKDM4EMC4R | |
| SCHEMBL4377878 | 0.83 | SIGMAR1 (0.61) | SIGMAR1GAAMAPTKDM4EALDH1A1 | |
| SCHEMBL4378416 | 0.83 | ALDH1A1 (0.73) | SIGMAR1MAPTKDM4EALDH1A1TPSAB1 | |
| SCHEMBL3999941 | 0.82 | ME2 (0.52) | GAAFKBP1AKMT2A | |
| SCHEMBL4378642 | 0.82 | L3MBTL1 (0.57) | SIGMAR1GAAMAPTKDM4EALDH1A1 | |
| SCHEMBL4376335 | 0.82 | ALDH1A1 (0.76) | SIGMAR1MAPTKDM4EALDH1A1TPSAB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004069256-A1 | 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2004-08-19 | — | — | WO | disclosed |