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 | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PON1 | P27169 | 1/20 | 0.42 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.40 |
| ▸ | PGR | P06401 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 5/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL4313028 | 0.91 | MEN1 (0.56) | MIFMEN1PKMMAPK1KMT2A | |
| Sulfuric Acid SCHEMBL4306472 | 0.90 | SLC16A3 (0.46) | MIFMEN1KMT2ASLC16A3CYP19A1 | |
| SCHEMBL4299898 | 0.88 | MIF (0.46) | MIFMEN1PKMMAPK1KMT2A | |
| SCHEMBL4301916 | 0.88 | MEN1 (0.42) | MIFMEN1PKMMAPK1KMT2A | |
| SCHEMBL4305002 | 0.88 | SLC16A3 (0.51) | MIFMEN1KMT2ASLC16A3CYP19A1 | |
| SCHEMBL4304394 | 0.87 | ACHE (0.42) | MIFMEN1PKMMAPK1KMT2A | |
| Bromide SCHEMBL4303645 | 0.87 | SLC16A3 (0.50) | MIFMEN1KMT2ASLC16A3CYP19A1 | |
| SCHEMBL4299388 | 0.85 | MIF (0.44) | MIFMEN1KMT2ASLC16A3PGR | |
| SCHEMBL4302295 | 0.81 | SLC16A3 (0.45) | MIFMEN1MAPK1KMT2AL3MBTL1 | |
| Sulfuric Acid SCHEMBL4302159 | 0.81 | CYP19A1 (0.60) | MEN1PKMMAPK1KMT2AL3MBTL1 |
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 |