Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 10/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1923696 | 0.82 | TSHR (0.54) | TSHRKDM4EPOLBNAAACA1 | |
| SCHEMBL4079459 | 0.81 | TSHR (0.52) | TSHRKDM4EPOLBNAAACA1 | |
| SCHEMBL11103994 | 0.80 | TSHR (0.47) | TSHRKDM4EPOLBNAAACA1 | |
| SCHEMBL28764214 | 0.80 | TSHR (0.56) | TSHRSLC6A2SLC6A3KDM4EPOLB | |
| SCHEMBL1867995 | 0.80 | TSHR (0.56) | TSHRKDM4EPOLBNAAACA1 | |
| SCHEMBL27811388 | 0.78 | TSHR (0.48) | TSHRNAAACA1CA2CA7 | |
| SCHEMBL30425799 | 0.77 | TSHR (0.64) | TSHRCHRM3CHRM2CHRM1SLC6A2 | |
| SCHEMBL23340 | 0.77 | TSHR (0.64) | TSHRCHRM3CHRM2CHRM1SLC6A2 | |
| SCHEMBL13994171 | 0.77 | TSHR (0.52) | TSHRKDM4EPOLBNAAACA1 | |
| SCHEMBL27661883 | 0.77 | TSHR (0.52) | TSHRKDM4EPOLBNAAACA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102089289-A | Novel heterocyclyl compounds for treatment of cardiovascular disease | HOFFMANN LA ROCHE | 2011-06-08 | — | — | CN | disclosed |
| CN-1759095-A | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARM INC (US) | 2006-04-12 | — | — | CN | disclosed |