Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 4/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | HTR5A | P47898 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
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 | 0.69 | MEN1 (0.36) | MTNR1AKDM4EMEN1KMT2A | |
| SCHEMBL8815446 | 0.68 | MAPT (0.46) | KDM4EMEN1CYP1A2DRD2TSHR | |
| SCHEMBL6232353 | 0.67 | CETP (0.49) | CETPALOX5GABRA1GABRB2HMGCR | |
| SCHEMBL27051001 | 0.66 | MAOA (0.35) | DRD2ADRA1A | |
| SCHEMBL23421786 | 0.66 | ALOX5 (0.47) | CETPALOX5GABRA1GABRB2HMGCR | |
| SCHEMBL20152962 | 0.65 | TP53 (0.39) | MEN1DRD2DRD4DRD3KMT2A | |
| SCHEMBL27711797 | 0.65 | MAOA (0.36) | ADRA1A | |
| SCHEMBL27051000 | 0.64 | MAOA (0.39) | KDM4EDRD2ADRA1A | |
| SCHEMBL20152956 | 0.64 | PDE4A (0.38) | CETPMTNR1AMTNR1BKDM4EMEN1 | |
| SCHEMBL20153014 | 0.63 | MEN1 (0.38) | MEN1TSHRKMT2A |
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 |