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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.60 |
| ▸ | RAB9A | P51151 | 6/20 | 0.60 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.59 |
| ▸ | RXFP1 | Q9HBX9 | 5/20 | 0.58 |
| ▸ | MEN1 | O00255 | 6/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | KLK7 | P49862 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL12199516 | 0.92 | MAP3K5 (0.68) | NPC1RAB9AMAP3K5RXFP1MEN1 | |
| SCHEMBL2482852 | 0.91 | SCD (0.66) | NPC1RAB9ARXFP1MEN1KMT2A | |
| Trifluoromethanesulfonic Acid SCHEMBL2485159 | 0.91 | MAP3K5 (0.59) | NPC1RAB9AMAP3K5RXFP1MEN1 | |
| Trifluoroacetic Acid SCHEMBL2482555 | 0.86 | MAP3K5 (0.61) | NPC1RAB9AMAP3K5MEN1KMT2A | |
| SCHEMBL2483973 | 0.86 | MAPT (0.59) | NPC1RAB9ARXFP1MEN1KMT2A | |
| SCHEMBL2485589 | 0.82 | NPC1 (0.59) | NPC1RAB9AMAP3K5RXFP1MEN1 | |
| SCHEMBL5713530 | 0.82 | MAP3K5 (0.75) | NPC1RAB9AMAP3K5MEN1KMT2A | |
| SCHEMBL13329390 | 0.82 | MAP3K5 (0.83) | NPC1RAB9AMAP3K5RXFP1MEN1 | |
| Trifluoromethanesulfonic Acid SCHEMBL403207 | 0.79 | SCD (0.67) | NPC1RAB9ARXFP1MEN1KMT2A | |
| SCHEMBL2484653 | 0.79 | SCD (0.81) | NPC1RAB9AMEN1KMT2A |
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-2376463-A1 | BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA | Bayer Pharma Aktiengesellschaft (DE) | 2011-10-19 | — | — | EP | disclosed |
| WO-2010066357-A1 | BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-06-17 | — | — | WO | disclosed |