Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | LTA4H | P09960 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ESRRB | O95718 | 1/20 | 0.46 |
| ▸ | ESRRG | P62508 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9055242 | 0.84 | LTA4H (0.47) | ALDH1A1HTTLTA4HCYP1A2CYP2D6 | |
| SCHEMBL24440540 | 0.80 | HTT (0.51) | ALDH1A1GAAMAPTMAPK1HTT | |
| SCHEMBL31156713 | 0.80 | HTT (0.51) | ALDH1A1GAAMAPTMAPK1HTT | |
| SCHEMBL22831345 | 0.78 | ALDH1A1 (0.63) | ALDH1A1GAAMAPTHTTLTA4H | |
| SCHEMBL9112270 | 0.78 | LTA4H (0.57) | ALDH1A1MAPK1HTTLTA4HCYP1A2 | |
| SCHEMBL1333744 | 0.78 | ALDH1A1 (0.63) | ALDH1A1GAAMAPTHTTLTA4H | |
| SCHEMBL4592016 | 0.78 | PYCR1 (0.52) | ALDH1A1MAPTMAPK1HTTCYP1A2 | |
| SCHEMBL79747 | 0.78 | HTT (0.62) | ALDH1A1GAAMAPTMAPK1HTT | |
| SCHEMBL9320386 | 0.76 | HTT (0.66) | ALDH1A1GAAMAPTMAPK1HTT | |
| Bromide SCHEMBL15391224 | 0.76 | HTT (0.61) | ALDH1A1GAAMAPTMAPK1HTT |
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-1996014283-A1 | PROCESS AND INTERMEDIATES FOR PREPARING TRIPHENYLTRIFLUOROPROPANES AND -PROPENES | EGIS Gyógyszergyár Rt. (HU) | 1996-05-17 | — | — | WO | disclosed |