Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 11/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19088800 | 0.89 | CHRM3 (0.45) | CHRM3ADRB2CHRM2KDM4EUSP2 | |
| SCHEMBL19088805 | 0.88 | CHRM3 (0.49) | CHRM3ADRB2CHRM2L3MBTL1CHRM1 | |
| SCHEMBL19088765 | 0.83 | CHRM3 (0.51) | CHRM3ADRB2CHRM2L3MBTL1NPSR1 | |
| SCHEMBL19088796 | 0.82 | CHRM3 (0.44) | CHRM3ADRB2CHRM2KDM4EHPGD | |
| SCHEMBL19088951 | 0.82 | CHRM3 (0.51) | CHRM3ADRB2CHRM2NPSR1THRB | |
| SCHEMBL19088799 | 0.80 | CHRM3 (0.45) | CHRM3ADRB2CHRM2L3MBTL1NPSR1 | |
| SCHEMBL19088841 | 0.80 | ADRB2 (0.79) | CHRM3ADRB2CHRM2 | |
| SCHEMBL19088842 | 0.80 | ADRB2 (0.79) | CHRM3ADRB2CHRM2 | |
| SCHEMBL19088756 | 0.80 | ADRB2 (0.79) | CHRM3ADRB2CHRM2 | |
| SCHEMBL15960456 | 0.78 | CHRM3 (0.65) | CHRM3ADRB2CHRM2 |
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-2017114377-A1 | BENZYL HETEROCYCLIC COMPOUND DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2017-07-06 | — | — | WO | disclosed |