Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL20152963 | 0.73 | USP7 (0.34) | COMTCNR1CNR2BACE1 | |
| SCHEMBL20152966 | 0.69 | CYP26A1 (0.35) | BACE1MAOAMAOBCA12CA9 | |
| SCHEMBL21126348 | 0.68 | GYS1 (0.36) | CA12CA9 | |
| SCHEMBL20152959 | 0.65 | COMT (0.39) | COMTBACE1MAOAMAOBALOX15 | |
| SCHEMBL2870997 | 0.61 | ALOX15 (0.47) | COMTBACE1MAOAALOX15ALOX12 | |
| SCHEMBL10068940 | 0.60 | TRPA1 (0.56) | COMTCNR1CNR2BACE1ALOX15 | |
| SCHEMBL9496386 | 0.60 | COMT (0.46) | COMTBACE1ALOX15ALOX12CA12 | |
| SCHEMBL14283893 | 0.60 | BACE1 (0.55) | COMTBACE1MAOAMAOBALOX15 | |
| SCHEMBL4366753 | 0.59 | BACE1 (0.59) | COMTBACE1ALOX15ALOX12CA12 | |
| SCHEMBL1006436 | 0.59 | MCL1 (0.52) | COMTCNR1CNR2BACE1CA12 |
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 |