Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TERT | O14746 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | S100A4 | P26447 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1001154 | 0.84 | TERT (0.55) | ALDH1A1TERTKMT2AMAPTTDP1 | |
| Paraquat SCHEMBL4086035 | 0.81 | TERT (0.59) | ALDH1A1TERTKMT2ATDP1MEN1 | |
| SCHEMBL5483989 | 0.78 | HDAC8 (0.64) | HDAC8ALDH1A1CYP2A6BCHEACHE | |
| SCHEMBL1982598 | 0.78 | TERT (0.49) | ALDH1A1TERTBCHEACHEKMT2A | |
| Alcohol SCHEMBL27993658 | 0.77 | TERT (0.49) | ALDH1A1TERTKMT2AMAPTMEN1 | |
| SCHEMBL3774913 | 0.77 | TERT (0.49) | ALDH1A1TERTMAPTCYP3A4CYP2D6 | |
| SCHEMBL5455838 | 0.76 | — | — | |
| SCHEMBL9470548 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP2A6BCHEACHEKMT2A | |
| SCHEMBL31397607 | 0.76 | TERT (0.48) | ALDH1A1TERTBCHEACHEKMT2A | |
| SCHEMBL7047125 | 0.75 | CYP2A6 (0.48) | HDAC8TERTCYP2A6KMT2AMAPT |
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-7109155-B2 | Liquid bleaching composition components comprising amphiphilic polymers | CLARIANT GMBH (DE) | 2006-09-19 | — | — | US | disclosed |
| US-20040167055-A1 | Liquid bleaching composition components comprising amphiphilic polymers | CLARIANT GMBH | 2004-08-26 | — | — | US | disclosed |