Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | STAT6 | P42226 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.50 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.50 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28785447 | 0.82 | TDP1 (0.53) | ALDH1A1CYP3A4TP53CYP1A2CYP2D6 | |
| SCHEMBL11245984 | 0.81 | PTPRC (0.67) | ALDH1A1CYP3A4CYP1A2HIF1AHSD17B10 | |
| SCHEMBL8777833 | 0.80 | POLB (0.66) | ALDH1A1CYP3A4TP53CYP1A2CYP2D6 | |
| SCHEMBL11749574 | 0.80 | TSHR (0.60) | ALDH1A1CYP3A4TP53HIF1ATDP1 | |
| SCHEMBL11250084 | 0.80 | TSHR (0.60) | ALDH1A1CYP3A4TP53HIF1ATDP1 | |
| SCHEMBL10355816 | 0.80 | TSHR (0.60) | ALDH1A1CYP3A4TP53HIF1ATDP1 | |
| SCHEMBL28069586 | 0.80 | TSHR (0.46) | ALDH1A1CYP3A4TP53CYP1A2CYP2D6 | |
| SCHEMBL2205543 | 0.79 | S100A4 (0.66) | ALDH1A1CYP3A4TP53HIF1ATDP1 | |
| SCHEMBL29400632 | 0.79 | S100A4 (0.66) | ALDH1A1CYP3A4TP53HIF1ATDP1 | |
| SCHEMBL2953876 | 0.77 | CYP3A4 (0.76) | ALDH1A1CYP3A4TP53CYP1A2CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4324732-A | IN PRESENCE OF TERITIARY ALIPHATIC AMINOALCOHOL AND/OR QUARTERNARY AMMONIUM COMPOUND | BAYER AKTIENGESELLSCHAFT (DE) | 1982-04-13 | — | — | US | disclosed |
| EP-0025926-A1 | Process for the preparation of monoaroylated 1,4-diamino anthraquinones | BAYER AG (DE) | 1981-04-01 | — | — | EP | disclosed |