Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ACLY | P53396 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL27033421 | 0.88 | MAPT (0.46) | HPGDNPSR1KDM4EMAPTCYP1A2 | |
| SCHEMBL29958664 | 0.88 | MAPT (0.46) | HPGDNPSR1KDM4EMAPTCYP1A2 | |
| SCHEMBL23599468 | 0.82 | MAPT (0.43) | HPGDNPSR1KDM4EMAPTCYP1A2 | |
| SCHEMBL18245557 | 0.82 | KDM4E (0.43) | HPGDKDM4EMAPTCYP1A2GLA | |
| SCHEMBL2437800 | 0.82 | NPC1 (0.55) | HPGDKDM4EMAPTCYP1A2GLA | |
| SCHEMBL4689558 | 0.80 | ADRA1D (0.43) | HPGDNPSR1F2ALDH1A1MEN1 | |
| SCHEMBL837451 | 0.79 | ALDH1A1 (0.56) | KDM4EMAPTGAAALDH1A1HTT | |
| SCHEMBL1525623 | 0.78 | ALDH1A1 (0.54) | KDM4EMAPTGAAALDH1A1HTT | |
| SCHEMBL20521859 | 0.78 | MEN1 (0.47) | HPGDKDM4EMAPTGLAGAA | |
| SCHEMBL10923842 | 0.78 | ALDH1A1 (0.50) | KDM4EMAPTCYP1A2CYP2C9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103687860-B | As P2X7Heterocyclic amide derivatives of receptor antagonists | 埃科特莱茵药品有限公司 | 2016-06-08 | — | — | CN | disclosed |