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 | 0.42 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 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 SCHEMBL4301560 | 0.90 | SLC16A3 (0.48) | SLC16A3ALKKMT2AALDH1A1MEN1 | |
| SCHEMBL4305774 | 0.89 | SLC16A3 (0.52) | SLC16A3ALKALDH1A1MIFMAPT | |
| SCHEMBL4302295 | 0.89 | SLC16A3 (0.45) | SLC16A3ALKKMT2AMEN1CYP2C9 | |
| Bromide SCHEMBL4303924 | 0.88 | SLC16A3 (0.51) | SLC16A3ALKALDH1A1MIFKDM4E | |
| SCHEMBL4301893 | 0.87 | SLC16A3 (0.45) | SLC16A3ALKKMT2AALDH1A1MEN1 | |
| SCHEMBL4301412 | 0.86 | MIF (0.41) | SLC16A3ALKKMT2AALDH1A1MEN1 | |
| SCHEMBL4303896 | 0.86 | SLC16A3 (0.41) | SLC16A3ALKKMT2AALDH1A1MEN1 | |
| SCHEMBL4309353 | 0.82 | CHKA (0.52) | SLC16A3ALDH1A1MIFMAPTMAPK1 | |
| SCHEMBL4304394 | 0.82 | ACHE (0.42) | SLC16A3KMT2AALDH1A1MEN1MIF | |
| SCHEMBL4306424 | 0.81 | CHKA (0.51) | SLC16A3ALDH1A1MIFMAPTMAPK1 |
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 |