Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 3/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | CCR5 | P51681 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TACR2 | P21452 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13275099 | 0.95 | CASR (0.36) | SMN1; SMN2L3MBTL1PLA2G7PARP1HDAC1 | |
| SCHEMBL2219314 | 0.92 | CCR5 (0.34) | PLA2G7PARP1CCR5 | |
| SCHEMBL2274437 | 0.91 | CCR5 (0.34) | CCR5MCHR1 | |
| SCHEMBL2265615 | 0.90 | FGFR1 (0.35) | CCR5 | |
| SCHEMBL2221167 | 0.88 | CASR (0.35) | SMN1; SMN2L3MBTL1PARP1HDAC1HDAC8 | |
| SCHEMBL2362780 | 0.87 | OPRM1 (0.36) | PARP1MAPK14MCHR1 | |
| SCHEMBL13274618 | 0.87 | CASR (0.34) | SMN1; SMN2L3MBTL1PARP1HDAC1HDAC8 | |
| SCHEMBL13507143 | 0.87 | ENPP2 (0.33) | — | |
| SCHEMBL2221295 | 0.87 | BRD4 (0.34) | MAPK1 | |
| SCHEMBL2266173 | 0.87 | HDAC1 (0.32) | SMN1; SMN2L3MBTL1HDAC1HDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011084402-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-14 | — | — | WO | claimed |
| WO-2011084402-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-14 | — | — | WO | disclosed |