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 | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | TERT | O14746 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | C5AR1 | P21730 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5694419 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TDP1LMNASRD5A2CA12 | |
| SCHEMBL24352 | 0.83 | MAPT (0.49) | TERTALDH1A1TDP1LMNAPTGS2 | |
| SCHEMBL31397607 | 0.82 | TERT (0.48) | TERTALDH1A1TDP1LMNACA12 | |
| SCHEMBL6150355 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TDP1LMNASRD5A2CA12 | |
| SCHEMBL1982598 | 0.81 | TERT (0.49) | TERTALDH1A1TDP1LMNACA12 | |
| SCHEMBL1001154 | 0.81 | TERT (0.55) | TERTALDH1A1TDP1LMNACA12 | |
| SCHEMBL5164430 | 0.80 | ALDH1A1 (0.64) | ALDH1A1TDP1LMNASRD5A2AKR1C3 | |
| SCHEMBL142175 | 0.80 | CA12 (0.46) | ALDH1A1LMNACA12CA9HTT | |
| Trigonelline SCHEMBL11771367 | 0.79 | USP2 (0.53) | RECQLTERTALDH1A1TP53TDP1 | |
| SCHEMBL9940785 | 0.78 | MAPT (0.44) | TERTALDH1A1TDP1LMNAHTT |
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 |