Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | MC3R | P41968 | 1/20 | 0.32 |
| ▸ | LOX | P28300 | 1/20 | 0.32 |
| ▸ | P4HB | P07237 | 1/20 | 0.31 |
| ▸ | VNN1 | O95497 | 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 | |
|---|---|---|---|---|
| SCHEMBL29526853 | 0.82 | TRPV4 (0.44) | TSHRALOX15CASP1NPSR1HSD17B10 | |
| SCHEMBL631338 | 0.82 | TRPV4 (0.44) | TSHRALOX15CASP1NPSR1HSD17B10 | |
| SCHEMBL28687790 | 0.81 | CYP19A1 (0.33) | TSHRALOX15CASP1NPSR1HSD17B10 | |
| SCHEMBL27976387 | 0.79 | CA2 (0.36) | TRPV4KDM4E | |
| SCHEMBL28221312 | 0.79 | RAB9A (0.34) | TSHRALOX15CASP1NPSR1HSD17B10 | |
| SCHEMBL29193221 | 0.75 | SMN1; SMN2 (0.42) | L3MBTL1KDM4ELOXL2LOX | |
| SCHEMBL27976684 | 0.74 | TRPV4 (0.44) | TRPV4 | |
| Ethoxycarbonyl Group SCHEMBL27906093 | 0.73 | KMT2A (0.34) | CYP19A1TRPV4NPC1RAB9AL3MBTL1 | |
| SCHEMBL27982440 | 0.73 | HSP90AA1 (0.67) | TSHRHSP90AA1NPC1RAB9AKDM4E | |
| SCHEMBL27982915 | 0.72 | ADORA3 (0.39) | TSHRHSP90AA1NPC1RAB9AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-103946221-B | heterocyclic compounds for the treatment of cystic fibrosis | 诺华股份有限公司 | 2016-08-03 | — | — | CN | disclosed |