Known targets — ChEMBL curated mechanism
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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 11/20 | 0.38 |
| ▸ | CES1 | P23141 | 7/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | KDM5A | P29375 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | POLA1 | P09884 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL313800 | 1.00 | FAAH (0.38) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL1990522 | 0.89 | FAAH (0.47) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL474408 | 0.89 | FAAH (0.47) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL28532297 | 0.87 | FAAH (0.43) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL109910 | 0.80 | FAAH (0.51) | FAAHCES1MEN1CYP1A2KMT2A | |
| SCHEMBL540430 | 0.79 | FAAH (0.41) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL5929269 | 0.79 | FAAH (0.41) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL28608284 | 0.78 | FAAH (0.38) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL29005882 | 0.78 | FAAH (0.38) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL6142283 | 0.78 | FAAH (0.43) | FAAHCES1MEN1CYP1A2KMT2A |
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-6620409-B2 | A combination of dialkyl carbonate of the formula R1OC(O) OR2, wherein R1 and R2 independently of one another are a linear or branched c6-c12 alkyl group and an aminoalkyl amide of formula R3CONH(CH2)n-NR4R5; hair and skin care formulation | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2003-09-16 | — | — | US | disclosed |
| US-20020182164-A1 | Hair and skin care agents | HENKEL AG & CO. KGAA (DE) | 2002-12-05 | — | — | US | disclosed |