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 | |
|---|---|---|---|---|
| ▸ | SLC16A3 | O15427 | 1/20 | 0.45 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | PON1 | P27169 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL4304339 | 0.90 | SLC16A3 (0.50) | SLC16A3ALKMIFMAPTUSP2 | |
| SCHEMBL4301893 | 0.90 | SLC16A3 (0.45) | SLC16A3ALKMIFMAPTUSP2 | |
| SCHEMBL4303896 | 0.89 | SLC16A3 (0.41) | SLC16A3ALKMIFMAPTUSP2 | |
| SCHEMBL4301409 | 0.89 | SLC16A3 (0.42) | SLC16A3ALKMIFMAPTUSP2 | |
| SCHEMBL4301601 | 0.88 | SLC16A3 (0.56) | SLC16A3ALKMIFMAPTUSP2 | |
| Bromide SCHEMBL4301403 | 0.87 | SLC16A3 (0.55) | SLC16A3ALKMIFMAPTUSP2 | |
| SCHEMBL4300795 | 0.86 | SLC16A3 (0.42) | SLC16A3ALKMIFMAPTUSP2 | |
| SCHEMBL4302297 | 0.86 | ALK (0.42) | SLC16A3ALKMIFMAPTNPSR1 | |
| Sulfuric Acid SCHEMBL4313089 | 0.81 | SLC16A3 (0.52) | SLC16A3ALKMIFMAPTUSP2 | |
| SCHEMBL4299387 | 0.81 | MIF (0.46) | SLC16A3MIFMAPTPON1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009124800-A1 | CATIONIC DIRECT DYES AND AGENTS FOR DYEING FIBERS CONTAINING KERATIN | HENKEL AG & CO. KGAA (DE) | 2009-10-15 | — | — | WO | disclosed |