Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.42 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.42 |
| ▸ | HRH2 | P25021 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 3/20 | 0.41 |
| ▸ | MMP3 | P08254 | 3/20 | 0.41 |
| ▸ | MMP7 | P09237 | 3/20 | 0.41 |
| ▸ | MMP9 | P14780 | 3/20 | 0.41 |
| ▸ | MMP8 | P22894 | 3/20 | 0.41 |
| ▸ | MMP13 | P45452 | 3/20 | 0.41 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20476229 | 0.93 | ALDH1A1 (0.50) | ADORA1KDM4EALDH1A1HPGDGPR119 | |
| SCHEMBL14920560 | 0.92 | CHRM5 (0.49) | ADORA1KDM4EALDH1A1HPGDMAPT | |
| SCHEMBL23040394 | 0.90 | ALDH1A1 (0.47) | ADORA1KDM4EALDH1A1HPGDGPR119 | |
| SCHEMBL14920221 | 0.88 | ADORA1 (0.47) | ADORA1MAPTCHRM5CHRM1HTT | |
| SCHEMBL26647798 | 0.88 | ALDH1A1 (0.47) | ADORA1ALDH1A1MAPTCHRM5CHRM1 | |
| SCHEMBL26128665 | 0.88 | ADORA1 (0.47) | ADORA1KDM4EMAPTGPR119CHRM5 | |
| SCHEMBL23039761 | 0.88 | ALDH1A1 (0.46) | ADORA1KDM4EALDH1A1HPGDMAPT | |
| SCHEMBL23632126 | 0.85 | GPR119 (0.46) | ADORA1GPR119CHRM5CHRM1HRH2 | |
| SCHEMBL23062407 | 0.85 | GPR119 (0.47) | ADORA1KDM4EALDH1A1HPGDMAPT | |
| SCHEMBL23062601 | 0.85 | MAPT (0.45) | ADORA1KDM4EALDH1A1HPGDMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019170904-A1 | PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND PHENYL | Grünenthal GmbH (DE) | 2019-09-12 | — | — | WO | disclosed |