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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | POLA1 | P09884 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29286837 | 0.92 | TERT (0.43) | FAAHMEN1KMT2APOLBLMNA | |
| SCHEMBL30822642 | 0.87 | CES2 (0.52) | CES2FAAHMEN1MAPK1KMT2A | |
| SCHEMBL19409849 | 0.87 | CA12 (0.40) | CES2CA12CA2CA7CA9 | |
| SCHEMBL28363750 | 0.87 | CA12 (0.40) | CES2CA12CA2CA7CA9 | |
| SCHEMBL28336600 | 0.87 | CES2 (0.42) | CES2CA12CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL28951893 | 0.86 | CES2 (0.50) | CES2FAAHMEN1MAPK1KMT2A | |
| SCHEMBL28380132 | 0.86 | CA12 (0.41) | CES2CA12CA2CA7CA9 | |
| SCHEMBL29047798 | 0.81 | CNR2 (0.49) | MEN1KMT2A | |
| SCHEMBL28363535 | 0.80 | CES2 (0.44) | CES2CA12CA2CA7CA9 | |
| SCHEMBL28516849 | 0.80 | TERT (0.44) | FAAHMEN1KMT2APOLBLMNA |
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-105377224-B | Dyeing composition | 莱雅公司 | 2021-02-12 | — | — | CN | disclosed |