Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.59 |
| ▸ | GAA | P10253 | 5/20 | 0.59 |
| ▸ | HPGD | P15428 | 5/20 | 0.59 |
| ▸ | CASP1 | P29466 | 4/20 | 0.59 |
| ▸ | CASP7 | P55210 | 4/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8478622 | 0.88 | ALDH1A1 (0.59) | ALDH1A1KDM4EGAAHPGDCASP1 | |
| SCHEMBL8478410 | 0.88 | ALDH1A1 (0.59) | ALDH1A1KDM4EGAAHPGDCASP1 | |
| SCHEMBL8480506 | 0.87 | ALDH1A1 (0.60) | ALDH1A1KDM4EGAAHPGDCASP1 | |
| SCHEMBL13425331 | 0.81 | MEN1 (0.67) | GAAMEN1KMT2ANPSR1 | |
| SCHEMBL6952589 | 0.81 | CACNA1C (0.60) | GAAMEN1KMT2ACACNA1BMAPT | |
| SCHEMBL6953297 | 0.79 | MEN1 (0.54) | GAAMEN1KMT2AMAPTCYP1A2 | |
| SCHEMBL7159081 | 0.78 | TSHR (0.70) | ALDH1A1KDM4EGAAHPGDCASP1 | |
| SCHEMBL7162019 | 0.78 | GAA (0.63) | ALDH1A1KDM4EGAAHPGDCASP1 | |
| SCHEMBL27386922 | 0.78 | TSHR (0.53) | ALDH1A1KDM4EGAAHPGDCASP1 | |
| SCHEMBL7161996 | 0.77 | ADORA3 (0.73) | ALDH1A1KDM4EGAAHPGDCASP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6001857-A | ADMINISTERING CYCLOPENTYL OR ISOPROPYL 2-METHOXYETHYL 4(2-CHLOROTHIENE-3-YL)-1,4-DIHYDRO-2,6-DIMETHYLPYRIDINE-3,5-DI CARBOXYLATE OR SALT TO TREAT DEPRESSION OR SENILE DEMENTIA IN A PATIENT | BAYER AKTIENGESELLSCHAFT (DE) | 1999-12-14 | — | — | US | disclosed |