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 | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6231742 | 0.82 | NPC1 (0.60) | SMN1; SMN2NPC1POLBRAB9AALDH1A1 | |
| SCHEMBL11425685 | 0.81 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1POLBRAB9AALDH1A1 | |
| Bromide SCHEMBL6229520 | 0.81 | NPC1 (0.63) | SMN1; SMN2NPC1POLBRAB9AALDH1A1 | |
| Hydrochloric Acid SCHEMBL8857341 | 0.81 | RAB9A (0.58) | SMN1; SMN2NPC1POLBRAB9AALDH1A1 | |
| SCHEMBL8626525 | 0.80 | NPC1 (0.56) | SMN1; SMN2NPC1POLBRAB9ALMNA | |
| SCHEMBL7748478 | 0.80 | NPC1 (0.56) | SMN1; SMN2NPC1POLBRAB9ALMNA | |
| SCHEMBL7459158 | 0.79 | SMN1; SMN2 (0.54) | CNR2SMN1; SMN2NPC1POLBRAB9A | |
| SCHEMBL8863313 | 0.76 | ALDH1A1 (0.55) | CNR2SMN1; SMN2POLBRAB9AALDH1A1 | |
| SCHEMBL6514943 | 0.75 | LMNA (0.43) | SMN1; SMN2ALDH1A1CA9CYP3A4CA12 | |
| SCHEMBL10418852 | 0.74 | GAA (0.52) | SMN1; SMN2ALDH1A1CA9CYP3A4CA12 |
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-4310613-A | QUATERNARY AMMONIUM SALT ANTISLUDGING AGENTS | MITSUBISHI PAPER MILLS, LTD. (JP) | 1982-01-12 | — | — | US | disclosed |