Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.39 |
| ▸ | CCR6 | P51684 | 1/20 | 0.39 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.39 |
| ▸ | IAPP | P10997 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4183452 | 0.77 | NPSR1 (0.43) | NPSR1CCR6HKDC1MAPTPKM | |
| SCHEMBL27721741 | 0.75 | NPSR1 (0.53) | NPSR1CCR6HKDC1THRATHRB | |
| SCHEMBL20153008 | 0.73 | BACE1 (0.44) | NPSR1TRPV1IAPPMAPT | |
| SCHEMBL20152941 | 0.73 | NPSR1 (0.47) | NPSR1TRPV1IAPPMAPT | |
| SCHEMBL2473385 | 0.73 | NPSR1 (0.78) | NPSR1THRATHRB | |
| SCHEMBL20153010 | 0.71 | LTB4R (0.45) | NPSR1TRPV1IAPP | |
| SCHEMBL27802926 | 0.70 | NPSR1 (0.47) | NPSR1 | |
| SCHEMBL14755519 | 0.70 | NPSR1 (0.34) | NPSR1CCR6HKDC1MAPTPKM | |
| SCHEMBL20152915 | 0.70 | NPSR1 (0.47) | NPSR1IAPP | |
| SCHEMBL20153035 | 0.69 | KDM4E (0.34) | CCR6HKDC1ALOX15ALOX12 |
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 |