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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | HPGD | P15428 | 4/20 | 0.58 |
| ▸ | GAA | P10253 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.44 |
| ▸ | POLB | P06746 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | SLC22A2 | O15244 | 2/20 | 0.36 |
| ▸ | SLC22A3 | O75751 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1049882 | 0.84 | KDM4E (0.53) | KDM4EALDH1A1HPGDGAAMAPT | |
| SCHEMBL1836203 | 0.83 | KDM4E (0.56) | KDM4EALDH1A1HPGDGAAMAPT | |
| Hydrochloric Acid SCHEMBL6333076 | 0.82 | KDM4E (0.51) | KDM4EALDH1A1HPGDGAAMAPT | |
| Iodide SCHEMBL82245 | 0.82 | ALDH1A1 (0.51) | KDM4EALDH1A1HPGDGAAMAPT | |
| Iodide SCHEMBL29227333 | 0.82 | KDM4E (0.51) | KDM4EALDH1A1HPGDGAAMAPT | |
| SCHEMBL382590 | 0.80 | KDM4E (0.48) | KDM4EALDH1A1HPGDGAAMAPT | |
| SCHEMBL6332960 | 0.78 | ALDH1A1 (0.48) | KDM4EALDH1A1HPGDGAAMAPT | |
| SCHEMBL8987999 | 0.77 | ALDH1A1 (0.48) | KDM4EALDH1A1HPGDGAAMAPT | |
| SCHEMBL9438445 | 0.76 | RAB9A (0.49) | KDM4EALDH1A1HPGDGAAMAPT | |
| SCHEMBL4625836 | 0.75 | LMNA (0.68) | KDM4EALDH1A1HPGDGAAMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6977001-B2 | Dye compositions containing quinolinium salts | WELLA AG (DE) | 2005-12-20 | — | — | US | disclosed |
| US-20030177592-A1 | Dye compositions containing quinolinium salts | HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) | 2003-09-25 | — | — | US | disclosed |
| EP-1346719-A1 | Dyeing compositions containing quinolinium salts | Wella Aktiengesellschaft (DE) | 2003-09-24 | — | — | EP | disclosed |