Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 12/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | DRD5 | P21918 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1971747 | 0.89 | TAAR1 (0.53) | TAAR1KDM4EADRA2ASLC6A2MAPT | |
| Hydrochloric Acid SCHEMBL4511238 | 0.87 | TAAR1 (0.51) | TAAR1KDM4EADRA2ASLC6A2MAPT | |
| SCHEMBL10769004 | 0.85 | KIF11 (0.41) | TAAR1PNMTALOX15KIF11CYP2A6 | |
| SCHEMBL11888425 | 0.81 | TAAR1 (0.53) | TAAR1KDM4EADRA2ASLC6A2MAPT | |
| SCHEMBL8190055 | 0.81 | CNR1 (0.40) | TAAR1MAPTALOX15GFERKIF11 | |
| SCHEMBL6600310 | 0.79 | CETP (0.39) | DRD4ALDH1A1ALOX15KIF11 | |
| SCHEMBL9836857 | 0.77 | TAAR1 (0.45) | TAAR1KDM4EADRA2ASLC6A2MAPT | |
| SCHEMBL5752488 | 0.77 | CETP (0.38) | CYP2D6ALOX15KIF11 | |
| SCHEMBL26696493 | 0.77 | KIF11 (0.37) | ALOX15KIF11 | |
| SCHEMBL2663547 | 0.77 | PARP1 (0.40) | MAPTMAPK1ALDH1A1ALOX15PTGS1 |
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-1013637-A2 | Process for the preparation of fluor containing phenethylamines and fluor containing beta-iminovinyl- and beta-iminoethylphenyl compounds | Bayer Aktiengesellschaft (DE) | 2000-06-28 | — | — | EP | disclosed |