Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 3/20 | 0.39 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL4003459 | 0.93 | CYP2C9 (0.56) | CYP2C9CYP2C19MAPK14HTR2BHTT | |
| SCHEMBL5670552 | 0.85 | AVPR1A (0.56) | AVPR1AKDM4EALDH1A1 | |
| SCHEMBL1800228 | 0.81 | CYP2C9 (0.46) | CYP2C9CYP2C19MAPK14HPGDHTR2B | |
| SCHEMBL5668948 | 0.81 | CYP2C19 (0.46) | CYP2C9CYP2C19MAPK14HTR2BALDH1A1 | |
| Hydrochloric Acid SCHEMBL1802301 | 0.80 | CYP2C9 (0.45) | CYP2C9CYP2C19MAPK14HPGDHTR2B | |
| SCHEMBL2941843 | 0.80 | CYP2C9 (0.45) | CYP2C9CYP2C19MAPK14HPGDHTR2B | |
| SCHEMBL3997310 | 0.80 | CHRNA4 (0.41) | CYP2C9CYP2C19MAPK14ALDH1A1TSHR | |
| SCHEMBL3999620 | 0.80 | MAPK1 (0.46) | CYP2C19HPGDHTR2BALDH1A1TSHR | |
| SCHEMBL5666405 | 0.78 | CYP3A4 (0.58) | CYP2C19HPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL5668375 | 0.78 | MEN1 (0.45) | ALDH1A1TSHRSMN1; SMN2PARP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005095402-A9 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2009-06-11 | — | — | WO | claimed |
| EP-1730147-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | Grünenthal GmbH (DE) | 2006-12-13 | — | — | EP | claimed |
| WO-2005095402-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | Grünenthal GmbH (DE) | 2005-10-13 | — | — | WO | claimed |
| WO-2005095402-A9 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2009-06-11 | — | — | WO | disclosed |