Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP7 | Q93009 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | COMT | P21964 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.31 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.31 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20152972 | 0.73 | COMT (0.35) | BACE1CNR1CNR2COMT | |
| SCHEMBL20152966 | 0.68 | CYP26A1 (0.35) | BACE1 | |
| SCHEMBL21126348 | 0.67 | GYS1 (0.36) | USP7HSD17B1KDM4EMEN1MAPT | |
| SCHEMBL20153025 | 0.62 | CETP (0.33) | KDM4EMEN1KMT2A | |
| SCHEMBL20152959 | 0.61 | COMT (0.39) | BACE1COMTMEN1KMT2A | |
| SCHEMBL7105505 | 0.61 | ESR1 (0.47) | USP7 | |
| SCHEMBL31463085 | 0.60 | USP7 (0.42) | USP7BACE1HSD17B1 | |
| SCHEMBL2870997 | 0.58 | ALOX15 (0.47) | BACE1COMTKDM4EMEN1ALDH1A1 | |
| SCHEMBL10068940 | 0.57 | TRPA1 (0.56) | BACE1CNR1CNR2COMTMEN1 | |
| SCHEMBL9496386 | 0.57 | COMT (0.46) | USP7BACE1COMTMEN1ALDH1A1 |
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 |