Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20153027 | 0.86 | MEN1 (0.36) | MTNR1AGAAALDH1A1SIGMAR1KDM4E | |
| SCHEMBL20152922 | 0.85 | PDE1B (0.44) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL20152973 | 0.82 | HTR2C (0.42) | CETP | |
| SCHEMBL20152962 | 0.69 | TP53 (0.39) | CA12CA1CA2CA9GAA | |
| SCHEMBL13616713 | 0.68 | ADRA1A (0.50) | MTNR1AMTNR1BADRA1A | |
| SCHEMBL4882683 | 0.67 | PTGDR2 (0.56) | GAAALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL20153038 | 0.67 | HTR2A (0.36) | KDM4E | |
| SCHEMBL20153014 | 0.67 | MEN1 (0.38) | ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL903651 | 0.66 | CYP26A1 (0.54) | GAAALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL20152954 | 0.66 | HSD17B10 (0.39) | ALDH1A1USP2CYP3A4CYP2C9CYP2C19 |
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-2018086197-A1 | CATALYTIC ASYMMETRIC SYNTHESIS METHOD FOR CHIRAL SPINOL DERIVATE | 南方科技大学 | 2018-05-17 | — | — | WO | disclosed |