Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2258099 | 0.90 | SIGMAR1 (0.46) | SIGMAR1CYP1A2CYP2D6TMEM97TACR1 | |
| SCHEMBL2260183 | 0.83 | TAAR1 (0.55) | TAAR1CHRNA7HCRTR1HCRTR2 | |
| SCHEMBL112800 | 0.77 | MC4R (0.47) | TACR1SLC6A4KCNH2 | |
| SCHEMBL29933818 | 0.77 | MC4R (0.47) | TACR1SLC6A4KCNH2 | |
| SCHEMBL2256078 | 0.75 | SIGMAR1 (0.49) | SIGMAR1CYP2D6 | |
| SCHEMBL30419289 | 0.74 | SIGMAR1 (0.47) | SIGMAR1CYP1A2CYP2D6TMEM97 | |
| SCHEMBL18474496 | 0.74 | NOS3 (0.50) | SIGMAR1TAAR1SLC6A4CHRNA7HCRTR1 | |
| SCHEMBL13724788 | 0.71 | HPGD (0.45) | SIGMAR1CYP1A2CYP2D6TACR1SLC6A4 | |
| SCHEMBL18474495 | 0.70 | L3MBTL1 (0.50) | SIGMAR1SLC6A4 | |
| SCHEMBL2484015 | 0.68 | BIRC2 (0.38) | SIGMAR1TACR1SLC6A4KCNH2 |
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-2373657-A1 | 5, 7-DIHYDRO- 6H-PYRIMIDO Ý 5, 4-D¨Ý 1¨BENZAZEPIN-6-THIONES AS PLK INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2011-10-12 | — | — | EP | disclosed |
| WO-2010065134-A1 | 5, 7-DIHYDRO- 6H-PYRIMIDO [ 5, 4-D] [ 1 ] BENZAZEPIN-6-THIONES AS PLK INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-06-10 | — | — | WO | disclosed |