Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 4/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 3/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2941843 | 0.93 | CYP2C9 (0.45) | CYP2C9CYP2C19MAPK14HTTTACR1 | |
| SCHEMBL2942498 | 0.87 | AVPR1A (0.53) | CYP2C9TACR1KDM4EALDH1A1MEN1 | |
| SCHEMBL2938363 | 0.86 | CYP2C9 (0.45) | CYP2C9CYP2C19MAPK14HTTTACR1 | |
| SCHEMBL1800228 | 0.85 | CYP2C9 (0.46) | CYP2C9CYP2C19MAPK14HTTTACR1 | |
| SCHEMBL2943403 | 0.84 | CYP2C19 (0.44) | CYP2C9CYP2C19MAPK14TACR1TSHR | |
| Hydrochloric Acid SCHEMBL1802301 | 0.84 | CYP2C9 (0.45) | CYP2C9CYP2C19MAPK14HTTTACR1 | |
| SCHEMBL2941530 | 0.83 | HPGD (0.43) | ALDH1A1TSHRSMN1; SMN2MEN1KMT2A | |
| SCHEMBL5151456 | 0.83 | CYP2C9 (0.44) | CYP2C9CYP2C19MAPK14HTTTACR1 | |
| SCHEMBL2938492 | 0.83 | CHRNA4 (0.41) | CYP2C9CYP2C19MAPK14ALDH1A1TSHR | |
| SCHEMBL2932813 | 0.82 | MEN1 (0.43) | HTTKDM4EALDH1A1TSHRSMN1; SMN2 |
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-1730147-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2010-02-03 | — | — | EP | claimed |