Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7889486 | 0.85 | EPHX1 (0.52) | EPHX1TAAR1SLC6A2SIGMAR1MAOA | |
| Ammonia Solution, Strong SCHEMBL15012391 | 0.83 | EPHX1 (0.50) | EPHX1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL3685154 | 0.77 | TRPA1 (0.48) | EPHX1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL106764 | 0.77 | EPHX1 (0.44) | EPHX1ALDH1A1TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL11233017 | 0.74 | ALDH1A1 (0.47) | EPHX1ALDH1A1TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL4344985 | 0.74 | TRPA1 (0.44) | EPHX1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL453958 | 0.74 | TDP1 (0.43) | EPHX1ALDH1A1TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL8750563 | 0.74 | CTSK (0.50) | EPHX1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL11863625 | 0.74 | TAAR1 (0.48) | EPHX1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL4953348 | 0.72 | CTSK (0.51) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 |
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-2210886-A1 | PYRIMIDYL INDOLINE COMPOUND | Daiichi Sankyo Company, Limited (JP) | 2010-07-28 | — | — | EP | disclosed |