Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | GGT1 | P19440 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1902516 | 0.89 | ALDH1A1 (0.40) | ALDH1A1TSHRLMNAHSD17B10CYP2D6 | |
| SCHEMBL28729490 | 0.86 | ALDH1A1 (0.38) | ALDH1A1TSHRLMNAHSD17B10CYP2D6 | |
| SCHEMBL8600530 | 0.85 | AKR1B1 (0.37) | ALDH1A1TSHRHSD17B10MEN1KMT2A | |
| SCHEMBL27347514 | 0.83 | GGPS1 (0.43) | ALDH1A1TSHRHSD17B10MEN1KMT2A | |
| SCHEMBL8637200 | 0.81 | GGPS1 (0.47) | ALDH1A1TSHRHSD17B10MEN1KMT2A | |
| SCHEMBL93137 | 0.81 | ALDH1A1 (0.38) | ALDH1A1TSHRGAACYP2D6CYP2C19 | |
| SCHEMBL6273792 | 0.80 | TSHR (0.33) | ALDH1A1TSHRGAACYP2D6CYP2C19 | |
| SCHEMBL12076376 | 0.80 | TSHR (0.35) | ALDH1A1TSHRLMNAHSD17B10CYP2D6 | |
| SCHEMBL28473558 | 0.79 | ALDH1A1 (0.36) | ALDH1A1TSHRGAACYP2D6CYP2C19 | |
| SCHEMBL31746162 | 0.77 | DGAT1 (0.35) | ALDH1A1TSHRLMNAHSD17B10CYP2D6 |
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-2000047560-A2 | PROCESS FOR THE PREPARATION OF ASYMMETRICAL 1,4-DIHYDRO-PYRIDINE-DICARBOXYLIC ACID ESTERS | EGIS Gyógyszergyár Rt. (HU) | 2000-08-17 | — | — | WO | disclosed |