Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5368911 | 0.78 | HTR1A (0.40) | HTR1AHTR7HTR2BTMEM97SIGMAR1 | |
| SCHEMBL19682380 | 0.78 | KDM4E (0.43) | TRPM8ALDH1A1PIM1CSNK1A1CDK5 | |
| SCHEMBL31111205 | 0.78 | KDM4E (0.43) | TRPM8ALDH1A1PIM1CSNK1A1CDK5 | |
| SCHEMBL5366896 | 0.77 | HTR1A (0.42) | HTR1AHTR7HTR2BTMEM97SIGMAR1 | |
| SCHEMBL30067828 | 0.74 | PARP1 (0.54) | TRPM8ALDH1A1CYP2C19ADRA2AADRA2B | |
| SCHEMBL1707759 | 0.74 | PARP1 (0.54) | TRPM8ALDH1A1CYP2C19ADRA2AADRA2B | |
| SCHEMBL8310579 | 0.73 | PKM (0.44) | SIGMAR1TDP1ALDH1A1HTTCYP2C19 | |
| SCHEMBL8315744 | 0.72 | PGR (0.39) | TDP1ALDH1A1HTTCYP2C19KDM4E | |
| SCHEMBL2370234 | 0.71 | MAOB (0.39) | ALDH1A1ADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL8834065 | 0.69 | HTR2A (0.47) | TDP1OPRM1ALDH1A1HTTCYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0626954-B1 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GMBH (DE) | 1999-03-17 | — | — | EP | disclosed |
| US-5652252-A | POTASSIUM CHANNEL ACTIVATORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-07-29 | — | — | US | disclosed |
| US-5602152-A | POTASSIUM CHANNEL MODULATOR | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-02-11 | — | — | US | disclosed |
| EP-0626954-A1 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GmbH (DE) | 1994-12-07 | — | — | EP | disclosed |
| WO-1994013658-A2 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GMBH (DE) | 1994-06-23 | — | — | WO | disclosed |