Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.41 |
| ▸ | IAPP | P10997 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20152915 | 0.81 | NPSR1 (0.47) | IAPPNPSR1CYP3A4TSHR | |
| SCHEMBL28910439 | 0.76 | IAPP (0.50) | IAPPNPSR1CYP3A4TSHR | |
| SCHEMBL20152975 | 0.73 | NPSR1 (0.40) | NPSR1 | |
| SCHEMBL20152924 | 0.73 | CHRNA7 (0.42) | NPSR1 | |
| SCHEMBL20152931 | 0.70 | TTR (0.44) | MEN1ALOX5KMT2A | |
| SCHEMBL13971494 | 0.69 | CYP3A4 (0.52) | HTTMEN1TP53CYP3A4ALOX5 | |
| SCHEMBL20152945 | 0.69 | ESR2 (0.51) | TRPV1NPSR1ALOX5 | |
| SCHEMBL28332231 | 0.68 | ALOX5 (0.62) | HTTMEN1TP53CYP3A4ALOX5 | |
| SCHEMBL27802926 | 0.68 | NPSR1 (0.47) | NPSR1TYR | |
| SCHEMBL16318981 | 0.68 | CYP4F2 (0.54) | KMT2A |
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 |