Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HTR6 | P50406 | 5/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL22312061 | 0.83 | TSHR (0.51) | NOTUMALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL3930427 | 0.83 | NPC1 (0.45) | NOTUMALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL22311515 | 0.79 | NOTUM (0.41) | NOTUMALDH1A1NPSR1HTR6DRD2 | |
| SCHEMBL22312088 | 0.76 | TSHR (0.50) | NOTUMALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL24326976 | 0.75 | HTR2C (0.38) | NOTUMALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL11416314 | 0.74 | NOTUM (0.54) | NOTUMALDH1A1NPSR1DRD2CNR2 | |
| SCHEMBL22312063 | 0.74 | NOTUM (0.54) | NOTUMALDH1A1NPSR1DRD2CNR2 | |
| SCHEMBL2102471 | 0.73 | KMT2A (0.58) | ALDH1A1NPSR1MEN1KMT2APOLB | |
| SCHEMBL14591313 | 0.72 | ALOX12 (0.47) | ALDH1A1NPSR1MEN1KMT2ADRD2 | |
| SCHEMBL256749 | 0.72 | NOTUM (0.56) | NOTUMALDH1A1DRD2CNR2HTR2C |
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-2020156162-A1 | MEK INHIBITOR AND PHARMACEUTICAL USE THEREOF | 贝达药业股份有限公司 | 2020-08-06 | — | — | WO | disclosed |