Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.46 |
| ▸ | IAPP | P10997 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.41 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.41 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.39 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 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 | |
|---|---|---|---|---|
| SCHEMBL20153008 | 0.88 | BACE1 (0.44) | NPSR1TRPV1BACE1IAPPMAPT | |
| SCHEMBL20153010 | 0.85 | LTB4R (0.45) | NPSR1TRPV1IAPPPTGS1LTB4R | |
| SCHEMBL20153011 | 0.84 | IAPP (0.40) | NPSR1TRPV1IAPPESR2PTGER1 | |
| SCHEMBL20152945 | 0.80 | ESR2 (0.51) | NPSR1TRPV1BACE1ESR2PTGER1 | |
| SCHEMBL20152903 | 0.75 | BACE1 (0.42) | BACE1ESR2ALOX5LTB4RLTB4R2 | |
| SCHEMBL27442369 | 0.74 | PTGER4 (0.62) | PTGER1PTGER4PTGER3PTGER2KMT2A | |
| SCHEMBL20153033 | 0.73 | NPSR1 (0.48) | NPSR1TRPV1IAPPMAPT | |
| SCHEMBL4279291 | 0.73 | BACE1 (0.68) | NPSR1BACE1ESR2ALOX5MEN1 | |
| SCHEMBL22888341 | 0.72 | BACE1 (0.65) | NPSR1BACE1ESR2ALOX5MAPT | |
| SCHEMBL9066203 | 0.71 | BACE1 (0.64) | BACE1ESR2PTGS1ALOX5LTB4R |
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 |