Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13913017 | 0.81 | GSK3B (0.35) | GSK3BADORA3ADORA2AADORA1 | |
| SCHEMBL31669380 | 0.78 | GSK3B (0.33) | GSK3B | |
| SCHEMBL19153952 | 0.78 | GSK3B (0.40) | GSK3BADORA3ADORA2AADORA1CHRNB2 | |
| SCHEMBL8141122 | 0.75 | F12 (0.36) | GSK3B | |
| SCHEMBL21920702 | 0.74 | FNTA (0.33) | GSK3BCHRNB2CHRNA4HTR1ASLC6A2 | |
| SCHEMBL18237542 | 0.74 | GSK3B (0.34) | GSK3BADORA3ADORA2AADORA1CHRNB2 | |
| SCHEMBL1140930 | 0.71 | KDM1A (0.41) | KDM1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL30268332 | 0.71 | KDM1A (0.41) | KDM1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1141037 | 0.70 | F2 (0.36) | HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16916826 | 0.70 | GSK3B (0.33) | GSK3BADORA3ADORA2AADORA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1848430-B1 | NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS | Dr Reddys Laboratories Ltd (IN) | 2017-08-02 | — | — | EP | disclosed |
| EP-1981342-B1 | SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS | REDDYS LAB LTD DR (IN) | 2016-11-30 | — | — | EP | disclosed |
| CN-101443006-B | Novel benzylamine derivatives as CETP inhibitors | REDDY US THERAPEUTICS INC | 2012-10-10 | — | — | CN | disclosed |
| CN-101443006-A | Novel benzylamine derivatives as CETP inhibitors | REDDY US THERAPEUTICS INC (US) | 2009-05-27 | — | — | CN | disclosed |