Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | ADK | P55263 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10220350 | 0.87 | HTR1A (0.39) | HTR1ADRD2HTR2APKN2GRM5 | |
| SCHEMBL13423652 | 0.84 | GRM5 (0.36) | HTR1ADRD2HTR2AGRM5ADK | |
| SCHEMBL2625330 | 0.68 | TLR9 (0.40) | PKN2LMNAALDH1A1ADORA3ADORA2A | |
| SCHEMBL2625325 | 0.67 | HSF1 (0.35) | HTR2AADKLMNAHTTALDH1A1 | |
| SCHEMBL2625327 | 0.62 | KCNH2 (0.36) | LMNAALDH1A1ADORA3ADORA2AADORA1 | |
| SCHEMBL13423651 | 0.61 | TDP2 (0.39) | HTR2AADKLMNAHTTALDH1A1 | |
| SCHEMBL2625321 | 0.60 | DRD2 (0.43) | DRD2LMNATLR9KCNH2 | |
| SCHEMBL2625322 | 0.60 | TDP2 (0.40) | LMNAALDH1A1ADORA3ADORA2AADORA1 | |
| SCHEMBL2625305 | 0.60 | ALDH1A1 (0.40) | HTR2AALDH1A1ADORA3ADORA2AADORA1 | |
| SCHEMBL4747714 | 0.60 | MAPK1 (0.39) | GRM5HTTALDH1A1KDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8163763-B2 | Pyrimidine compounds, compositions and methods of use | GENENTECH, INC. (US) | 2012-04-24 | — | — | US | disclosed |