Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | SIRT6 | Q8N6T7 | 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 | |
|---|---|---|---|---|
| SCHEMBL14827764 | 0.92 | GAA (0.47) | ROCK1MAPTMAPK1GRIN1GRIN2B | |
| SCHEMBL27459659 | 0.89 | MAPT (0.51) | MAPTMAPK1GRIN1GRIN2BNPC1 | |
| SCHEMBL27586944 | 0.86 | ROCK1 (0.44) | ROCK1MAPTMAPK1GRIN1GRIN2B | |
| SCHEMBL28752588 | 0.86 | ROCK1 (0.44) | ROCK1MAPTMAPK1GRIN1GRIN2B | |
| SCHEMBL28762184 | 0.86 | ROCK1 (0.48) | ROCK1MAPTMAPK1GRIN1GRIN2B | |
| SCHEMBL14827759 | 0.85 | ALDH1A1 (0.43) | ROCK1MAPTMAPK1GRIN1GRIN2B | |
| SCHEMBL2462174 | 0.84 | MAPT (0.57) | ROCK1MAPTMAPK1GRIN1GRIN2B | |
| SCHEMBL16274458 | 0.84 | ALDH1A1 (0.54) | ROCK1MAPTGAALMNADRD2 | |
| SCHEMBL23579413 | 0.83 | ROCK1 (0.46) | ROCK1MAPTMAPK1GRIN1GRIN2B | |
| SCHEMBL29974269 | 0.83 | ROCK1 (0.46) | ROCK1MAPTMAPK1GRIN1GRIN2B |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106220550-A | The synthetic method of 2 butyl 6 nitroindolines | 叶芳 | 2016-12-14 | — | — | CN | claimed |
| CN-104788328-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2015-07-22 | — | — | CN | disclosed |
| CN-101891680-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-10-29 | — | — | CN | disclosed |
| CN-103641765-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2014-03-19 | — | — | CN | disclosed |
| CN-101935301-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2013-10-16 | — | — | CN | disclosed |
| CN-102652128-A | 4-Oxo-1H-quinoline-3-carboxamides as modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2012-08-29 | — | — | CN | disclosed |
| CN-101006076-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2010-09-29 | — | — | CN | disclosed |
| CN-101006076-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2007-07-25 | — | — | CN | disclosed |