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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 15/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.63 |
| ▸ | MEN1 | O00255 | 3/20 | 0.63 |
| ▸ | NPC1 | O15118 | 3/20 | 0.63 |
| ▸ | RAB9A | P51151 | 3/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL2479429 | 0.91 | NPC1 (0.60) | KMT2AMEN1NPC1RAB9AKDM4E | |
| SCHEMBL2484653 | 0.90 | SCD (0.81) | SCDKMT2AMEN1NPC1RAB9A | |
| Trifluoromethanesulfonic Acid SCHEMBL403207 | 0.89 | SCD (0.67) | SCDKMT2AMEN1NPC1RAB9A | |
| SCHEMBL2483973 | 0.88 | MAPT (0.59) | SCDKMT2AMEN1NPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL2483587 | 0.85 | SCD (0.70) | SCDKMT2AMEN1NPC1RAB9A | |
| SCHEMBL4913650 | 0.84 | SCD (0.88) | SCDKMT2AMEN1NPC1RAB9A | |
| SCHEMBL12199516 | 0.83 | MAP3K5 (0.68) | SCDKMT2AMEN1NPC1RAB9A | |
| Trifluoromethanesulfonic Acid SCHEMBL2485159 | 0.82 | MAP3K5 (0.59) | KMT2AMEN1NPC1RAB9AKDM4E | |
| SCHEMBL2480976 | 0.82 | MEN1 (0.59) | SCDKMT2AMEN1NPC1RAB9A | |
| SCHEMBL4912951 | 0.81 | SCD (1.00) | SCDKMT2AMEN1NPC1RAB9A |
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 |