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 | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 9/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | ESRRB | O95718 | 2/20 | 0.35 |
| ▸ | ESRRG | P62508 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3396235 | 0.92 | CNR2 (0.43) | ALDH1A1MEN1KMT2AMAPTCNR2 | |
| SCHEMBL3399516 | 0.91 | CNR2 (0.45) | LMNAALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL3400103 | 0.90 | KMT2A (0.37) | HTR6ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL3396027 | 0.90 | MAPT (0.41) | LMNAKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL3425616 | 0.86 | ADRB1 (0.42) | HTR6ADRB1ALDH1A1HTR1AHTR7 | |
| SCHEMBL3393908 | 0.86 | ACHE (0.48) | HTR6ADRB1LMNAKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL3394153 | 0.85 | ADRB1 (0.41) | HTR6ADRB1ALDH1A1HTR1AHTR7 | |
| Bromide SCHEMBL3395953 | 0.85 | ADRB1 (0.41) | HTR6ADRB1ALDH1A1HTR1AHTR7 | |
| SCHEMBL3424154 | 0.84 | HTR6 (0.34) | HTR6ADRB1LMNAKDM4EALDH1A1 | |
| SCHEMBL3423371 | 0.80 | CNR2 (0.41) | LMNAALDH1A1MEN1KMT2AMAPT |
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-2245013-A1 | 9-Ý4-(AMINO) PHENYL¨ACRIDINIUM SALTS AS CATIONIC DIRECT DYES FOR COLORING KERATINOUS FIBERS | Henkel AG & Co. KGaA (DE) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009103798-A1 | 9-[4-(AMINO) PHENYL] ACRIDINIUM SALTS AS CATIONIC DIRECT DYES FOR COLORING KERATINOUS FIBERS | HENKEL AG & CO. KGAA (DE) | 2009-08-27 | — | — | WO | disclosed |