Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.51 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | GBA1 | P04062 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.48 |
| ▸ | OGA | O60502 | 1/20 | 0.47 |
| ▸ | ACACB | O00763 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19725018 | 0.97 | PIK3CA (0.49) | PIK3CAALDH1A1PIK3CDMAPK1PIK3R1 | |
| SCHEMBL5457199 | 0.95 | PIK3CA (0.55) | PIK3CAALDH1A1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL8549105 | 0.89 | GBA1 (0.56) | GBA1ACHESORDCCNT1CCNA2 | |
| SCHEMBL27941842 | 0.88 | GBA1 (0.55) | GBA1ACHESORDCCNT1CCNA2 | |
| SCHEMBL30635502 | 0.88 | GBA1 (0.55) | GBA1ACHESORDCCNT1CCNA2 | |
| SCHEMBL30818658 | 0.87 | HRH3 (0.51) | PIK3CAALDH1A1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL1123812 | 0.84 | MAPT (0.58) | PIK3CAALDH1A1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL5485306 | 0.83 | PIK3CA (0.49) | PIK3CAALDH1A1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL28637136 | 0.80 | CASP1 (0.67) | ALDH1A1GBA1ACHEUSP2CYP1A2 | |
| SCHEMBL29519526 | 0.80 | CASP1 (0.67) | ALDH1A1GBA1ACHEUSP2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2997024-B1 | PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2018-03-28 | — | — | EP | disclosed |