Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 4/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | VDR | P11473 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | APLNR | P35414 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9434999 | 0.92 | CA12 (0.43) | CNR2VDRCA12CA2CA9 | |
| SCHEMBL7305249 | 0.85 | ALDH1A1 (0.42) | VDRCA12CA2CA9LMNA | |
| SCHEMBL6469914 | 0.84 | CYP2D6 (0.40) | VDRLMNANPSR1HTTSMN1; SMN2 | |
| SCHEMBL10554124 | 0.84 | LMNA (0.37) | CNR2MCHR1LMNAAPLNRMEN1 | |
| SCHEMBL17164172 | 0.81 | GSR (0.46) | VDRLMNAHTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL6982213 | 0.81 | GSR (0.46) | VDRLMNAHTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL7259363 | 0.80 | CA2 (0.46) | CNR2MCHR1VDRCA12CA2 | |
| SCHEMBL4824188 | 0.80 | MMP2 (0.39) | MCHR1CA12CA2CA9SMN1; SMN2 | |
| SCHEMBL11845818 | 0.80 | CNR2 (0.37) | CNR2MCHR1LMNANPSR1APLNR | |
| SCHEMBL31344867 | 0.79 | CA12 (0.44) | CNR2MCHR1VDRCA12CA2 |
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-2016095088-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |