Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | EP300 | Q09472 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5028318 | 0.87 | ACHE (0.59) | ALDH1A1CYP3A4ACHEGAANPC1 | |
| Hydrochloric Acid SCHEMBL8706033 | 0.85 | ACHE (0.56) | ALDH1A1CYP3A4ACHEGAANPC1 | |
| SCHEMBL16372539 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ACHEGAANPC1 | |
| SCHEMBL11139031 | 0.81 | ACHE (0.52) | ALDH1A1CYP3A4ACHEGAANPC1 | |
| SCHEMBL30436671 | 0.81 | ACHE (0.52) | ALDH1A1CYP3A4ACHEGAANPC1 | |
| SCHEMBL6701694 | 0.79 | POLB (0.43) | ALDH1A1CYP3A4ACHEGAANPC1 | |
| SCHEMBL19225422 | 0.77 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ACHEGAANPC1 | |
| SCHEMBL15906147 | 0.77 | MAPT (0.55) | ALDH1A1CYP3A4ACHEGAANPC1 | |
| SCHEMBL17736226 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP3A4ACHEGAANPC1 | |
| SCHEMBL3228491 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP3A4ACHEGAANPC1 |
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-2008047210-A2 | COMPOUNDS DERIVED FROM 1 -ETHYL-4,5-DIAMINO-PYRAZOLE AND THEIR USE FOR OXIDATIVE DYEING OF KERATIN FIBRES | KEMON S.P.A. (IT) | 2008-04-24 | — | — | WO | disclosed |