Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20590537 | 0.90 | ALDH1A1 (0.56) | ALDH1A1GLAADRA2CPKMTDP1 | |
| SCHEMBL20590550 | 0.85 | ALDH1A1 (0.64) | ALDH1A1GLAADRA2CPKMTDP1 | |
| SCHEMBL15474581 | 0.84 | ADRA2C (0.45) | ALDH1A1ADRA2CTSHRMAPTHPGD | |
| SCHEMBL2884989 | 0.80 | PDE4B (0.41) | TDP1CHRNB4CHRNA3 | |
| SCHEMBL29769262 | 0.80 | ALDH1A1 (0.71) | ALDH1A1GLAADRA2CPKMTDP1 | |
| SCHEMBL7282918 | 0.80 | ALDH1A1 (0.71) | ALDH1A1GLAADRA2CPKMTDP1 | |
| SCHEMBL3634571 | 0.80 | ALDH1A1 (0.71) | ALDH1A1GLAADRA2CPKMTDP1 | |
| SCHEMBL93244 | 0.80 | ALDH1A1 (0.71) | ALDH1A1GLAADRA2CPKMTDP1 | |
| SCHEMBL15474856 | 0.78 | MCHR1 (0.43) | ADRA2CCHRNB4CHRNA3 | |
| SCHEMBL28516682 | 0.77 | ALDH1A1 (0.50) | ALDH1A1GLAPKMTDP1TP53 |
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-6043240-A | USEFUL AS ANTIPSYCHOTIC AND ANALGESIC AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 2000-03-28 | — | — | US | disclosed |