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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 11/20 | 0.43 |
| ▸ | CES1 | P23141 | 10/20 | 0.43 |
| ▸ | CES2 | O00748 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | POLA1 | P09884 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28404561 | 0.92 | FAAH (0.51) | FAAHCES1MEN1CYP1A2KMT2A | |
| Hydrochloric Acid SCHEMBL28919223 | 0.85 | FAAH (0.53) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL26638038 | 0.82 | FAAH (0.39) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL5712972 | 0.82 | CA12 (0.41) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL28363752 | 0.82 | FAAH (0.39) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL4617910 | 0.82 | CA12 (0.41) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL28363537 | 0.81 | FAAH (0.46) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL28405424 | 0.80 | MAPT (0.39) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL28467259 | 0.79 | FAAH (0.50) | FAAHCES1MEN1CYP1A2KMT2A | |
| SCHEMBL4029940 | 0.78 | FAAH (0.50) | FAAHCES1CES2MEN1CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110944669-A | Novel antifungal composition | 拜奥科斯梅斯有限公司 | 2020-03-31 | — | — | CN | disclosed |