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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.40 |
| ▸ | MAPT | P10636 | 8/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | HPGD | P15428 | 6/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9004667 | 0.90 | KDM4E (0.42) | KDM4EMAPTALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL11485433 | 0.88 | LMNA (0.38) | KDM4EMAPTALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL9069378 | 0.82 | C5AR1 (0.40) | KDM4EMAPTALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL5678577 | 0.82 | KDM4E (0.56) | KDM4EMAPTALDH1A1HPGDSMN1; SMN2 | |
| Trifluoromethanesulfonic Acid SCHEMBL22320989 | 0.82 | MAPT (0.42) | KDM4EMAPTALDH1A1HPGDSMN1; SMN2 | |
| Iodide SCHEMBL5678595 | 0.80 | KDM4E (0.54) | KDM4EMAPTALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL5176140 | 0.80 | SMN1; SMN2 (0.44) | KDM4EMAPTALDH1A1HPGDSMN1; SMN2 | |
| Sulfuric Acid SCHEMBL9038790 | 0.77 | KDM4E (0.44) | KDM4EMAPTALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL29752682 | 0.76 | KDM4E (0.50) | KDM4ESMN1; SMN2MEN1KMT2ALMNA | |
| SCHEMBL22320964 | 0.76 | KDM4E (0.50) | KDM4EMAPTALDH1A1HPGDSMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6635090-B1 | Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative | L'OREAL, S.A. (FR) | 2003-10-21 | — | — | US | claimed |
| US-6635090-B1 | Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative | L'OREAL, S.A. (FR) | 2003-10-21 | — | — | US | disclosed |
| EP-1056434-A1 | DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE | L'OREAL (FR) | 2000-12-06 | — | — | EP | disclosed |
| WO-2000038639-A1 | DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE | L'OREAL (FR) | 2000-07-06 | — | — | WO | disclosed |