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 | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | G6PD | P11413 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | TERT | O14746 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9865883 | 0.87 | GAA (0.43) | KDM4EMAPTLMNACYP3A4HSD17B10 | |
| SCHEMBL7047125 | 0.83 | CYP2A6 (0.48) | CYP2A6KDM4EMAPTLMNATLR9 | |
| SCHEMBL10549634 | 0.81 | LMNA (0.45) | KDM4EMAPTLMNACYP3A4HSD17B10 | |
| SCHEMBL2943216 | 0.81 | LMNA (0.43) | KDM4EMAPTLMNACYP3A4HSD17B10 | |
| SCHEMBL1426734 | 0.80 | ALDH1A1 (0.45) | CYP2A6KDM4EMAPTLMNAHSD17B10 | |
| SCHEMBL7621560 | 0.79 | KDM4E (0.46) | KDM4EMAPTLMNACYP3A4HSD17B10 | |
| Formic Acid SCHEMBL31165927 | 0.78 | ALDH1A1 (0.41) | CYP2A6MAPTLMNAHSD17B10MAPK1 | |
| SCHEMBL7044936 | 0.78 | CYP2A6 (0.47) | CYP2A6KDM4EMAPTLMNACYP2D6 | |
| SCHEMBL11398927 | 0.78 | CYP2A6 (0.47) | CYP2A6KDM4EMAPTLMNACYP2D6 | |
| SCHEMBL143552 | 0.78 | MAPT (0.46) | KDM4EMAPTLMNACYP3A4HSD17B10 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1432388-B1 | AGENT FOR COLOURING FIBRES CONTAINING KERATIN | HENKEL AG & CO KGAA (DE) | 2008-06-18 | — | — | EP | claimed |
| EP-1432388-A1 | AGENT FOR COLOURING FIBRES CONTAINING KERATIN | Henkel Kommanditgesellschaft auf Aktien (DE) | 2004-06-30 | — | — | EP | claimed |
| WO-2003030847-A1 | AGENT FOR COLOURING FIBRES CONTAINING KERATIN | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2003-04-17 | — | — | WO | claimed |
| EP-1432388-B1 | AGENT FOR COLOURING FIBRES CONTAINING KERATIN | HENKEL AG & CO KGAA (DE) | 2008-06-18 | — | — | EP | disclosed |
| EP-1432388-A1 | AGENT FOR COLOURING FIBRES CONTAINING KERATIN | Henkel Kommanditgesellschaft auf Aktien (DE) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003030847-A1 | AGENT FOR COLOURING FIBRES CONTAINING KERATIN | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2003-04-17 | — | — | WO | disclosed |