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 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | GLO1 | Q04760 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PRKCI | P41743 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SLC40A1 | Q9NP59 | 4/20 | 0.37 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7679 | 0.81 | — | — | |
| SCHEMBL29365139 | 0.81 | — | — | |
| SCHEMBL23159915 | 0.79 | NUDT1 (0.48) | KDM4EHTTALDH1A1TDP1LMNA | |
| Hydrochloric Acid SCHEMBL16296100 | 0.79 | NUDT1 (0.48) | KDM4EHTTALDH1A1TDP1LMNA | |
| Urea SCHEMBL28419880 | 0.78 | FLT3 (0.49) | KDM4EHTTALDH1A1TDP1LMNA | |
| Fumaric Acid SCHEMBL10591225 | 0.74 | KDM4E (0.49) | KDM4EALDH1A1LMNADAOMAP2K1 | |
| Maleic Acid SCHEMBL10591220 | 0.74 | KDM4E (0.49) | KDM4EALDH1A1LMNADAOMAP2K1 | |
| Quinoline SCHEMBL542500 | 0.73 | ALDH1A1 (0.61) | KDM4EALOX12HTTALDH1A1TDP1 | |
| SCHEMBL16457900 | 0.73 | NUDT1 (0.42) | KDM4EHTTALDH1A1TDP1LMNA | |
| Dipyridyl SCHEMBL28565857 | 0.71 | KDM4E (0.52) | KDM4EHTTALDH1A1TDP1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1729723-A1 | NEUTRAL AND CATIONIC NAPHTHALENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS FOR DYEING KERATIN FIBERS | Wella Aktiengesellschaft (DE) | 2006-12-13 | — | — | EP | claimed |
| WO-2005075574-A1 | NEUTRAL AND CATIONIC NAPHTHALENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS FOR DYEING KERATIN FIBERS | WELLA AKTIENGESELLSCHAFT (DE) | 2005-08-18 | — | — | WO | claimed |