Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 10/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD1 | P21728 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | DRD5 | P21918 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21252818 | 0.84 | TAAR1 (0.45) | TAAR1KDM4EADRA2ASLC6A2MAPT | |
| SCHEMBL13917357 | 0.81 | TAAR1 (0.47) | TAAR1KDM4EADRA2ASLC6A2MAPT | |
| SCHEMBL15314019 | 0.79 | TAAR1 (0.60) | TAAR1KDM4EADRA2ASLC6A2MAPT | |
| SCHEMBL18850328 | 0.79 | SKP2 (0.53) | KDM4EADRA2ASLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL6468217 | 0.78 | NOS3 (0.38) | TAAR1KDM4ESLC6A2MAPTMAPK1 | |
| SCHEMBL12641406 | 0.77 | TAAR1 (0.39) | TAAR1KDM4EADRA2ASLC6A2MAPT | |
| SCHEMBL25122207 | 0.76 | TAAR1 (0.60) | TAAR1KDM4EADRA2ASLC6A2MAPT | |
| SCHEMBL28135835 | 0.75 | HRH3 (0.49) | SLC6A3TDP1CYP1A2L3MBTL1 | |
| SCHEMBL5255146 | 0.74 | TAAR1 (0.52) | TAAR1KDM4EADRA2ASLC6A2MAPT | |
| SCHEMBL14216254 | 0.74 | ALDH1A1 (0.40) | KDM4EMAPTMAPK1RECQLTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2454253-B1 | AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES | MERCK PATENT GMBH (DE) | 2015-01-21 | — | — | EP | disclosed |