Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | L3MBTL4 | Q8NA19 | 1/20 | 0.32 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22523908 | 0.76 | CHRNB2 (0.39) | CHRNB2CHRNA4ATMNOS3NOS1 | |
| SCHEMBL16271578 | 0.75 | CYP11B2 (0.48) | CHRNB2CHRNA4ATMALDH1A1GAA | |
| SCHEMBL29845299 | 0.74 | POLB (0.38) | CHRNB2CHRNA4 | |
| SCHEMBL1426303 | 0.74 | POLB (0.38) | CHRNB2CHRNA4 | |
| SCHEMBL16271594 | 0.73 | ATM (0.52) | ATMHSD17B10ALDH1A1L3MBTL4L3MBTL3 | |
| SCHEMBL17581673 | 0.70 | IDO1 (0.44) | CHRNB2CHRNA4 | |
| SCHEMBL14991864 | 0.70 | QDPR (0.51) | ATMHSD17B10ALDH1A1L3MBTL4L3MBTL3 | |
| SCHEMBL31014511 | 0.70 | CYP11B2 (0.46) | CHRNB2CHRNA4ALDH1A1L3MBTL4L3MBTL3 | |
| SCHEMBL21965642 | 0.66 | DRD2 (0.41) | CHRNB2CHRNA4ATMHSD17B10ALDH1A1 | |
| SCHEMBL16271599 | 0.66 | DRD2 (0.41) | CHRNB2CHRNA4ATMHSD17B10ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3004089-B1 | NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2020-05-06 | — | — | EP | disclosed |