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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | SNCA | P37840 | 2/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | INSR | P06213 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3214133 | 0.90 | APP (0.41) | SMN1; SMN2ALDH1A1PKMKDM4EHPGD | |
| SCHEMBL3643981 | 0.89 | APP (0.42) | SMN1; SMN2ALDH1A1PKMKDM4EHPGD | |
| SCHEMBL5067726 | 0.88 | APP (0.40) | SMN1; SMN2ALDH1A1PKMKDM4EHPGD | |
| SCHEMBL5716206 | 0.86 | APP (0.38) | SMN1; SMN2ALDH1A1PKMKDM4EHPGD | |
| SCHEMBL2028552 | 0.85 | SNCA (0.41) | SMN1; SMN2ALDH1A1APPSNCATNF | |
| SCHEMBL7050705 | 0.84 | ALDH1A1 (0.47) | SMN1; SMN2ALDH1A1PKMKDM4EHPGD | |
| SCHEMBL7049508 | 0.80 | APP (0.33) | SMN1; SMN2ALDH1A1PKMKDM4EHPGD | |
| SCHEMBL4625707 | 0.77 | SNCA (0.50) | SMN1; SMN2ALDH1A1KDM4EHPGDAPP | |
| SCHEMBL316151 | 0.77 | ALDH1A1 (0.57) | SMN1; SMN2ALDH1A1PKMKDM4EHPGD | |
| SCHEMBL1402286 | 0.74 | ALDH1A1 (0.49) | SMN1; SMN2ALDH1A1PKMKDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1300132-A2 | Agent for dyeing keratinous fibres | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-04-09 | — | — | EP | claimed |
| EP-1300132-A2 | Agent for dyeing keratinous fibres | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-04-09 | — | — | EP | disclosed |