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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 6/20 | 0.35 |
| ▸ | MAPT | P10636 | 12/20 | 0.34 |
| ▸ | PKM | P14618 | 5/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | BCL6 | P41182 | 1/20 | 0.33 |
| ▸ | BCOR | Q6W2J9 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6151380 | 0.93 | BCL6 (0.36) | LMNAMAPTPKMPOLBBCL6 | |
| SCHEMBL5718267 | 0.90 | MAPT (0.38) | LMNAMAPTPKMPOLBBCL6 | |
| SCHEMBL5718274 | 0.86 | CYP19A1 (0.36) | LMNAMAPTPKMPOLBSMN1; SMN2 | |
| SCHEMBL5718344 | 0.85 | MAPT (0.35) | LMNAMAPTPKMPOLBBCL6 | |
| SCHEMBL5718463 | 0.83 | MAPT (0.53) | LMNAMAPTPKMPOLBSMN1; SMN2 | |
| SCHEMBL5718310 | 0.82 | MAPT (0.38) | LMNAMAPTPKMPOLBBCL6 | |
| SCHEMBL5718409 | 0.81 | ALDH1A1 (0.49) | LMNAMAPTPKMPOLBSMN1; SMN2 | |
| SCHEMBL5718321 | 0.80 | LMNA (0.39) | LMNAMAPTPKMPOLBSMN1; SMN2 | |
| SCHEMBL5718453 | 0.80 | MAPT (0.44) | LMNAMAPTPKMPOLBSMN1; SMN2 | |
| Sulfuric Acid SCHEMBL7668739 | 0.79 | BCL6 (0.34) | LMNAMAPTPKMPOLBBCL6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6464731-B1 | 1-(3-(4-AMINO-2-CHLORO-5-NITROPHENYLAMINO)PROPYL)-3-METHYL-3H -IMIDAZOL-1-IUM BROMIDE USED AS DIRECT HAIR DYES; SOLUBILITY AND PHOTOSTABILITY | L'OREAL S.A. (FR) | 2002-10-15 | — | — | US | disclosed |