Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.47 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.35 |
| ▸ | ITGAL | P20701 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CRHBP | P24387 | 2/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.32 |
| ▸ | OXTR | P30559 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | SLC9A1 | P19634 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20565628 | 0.80 | ITGB2 (0.37) | ITGB2ICAM1ITGALADRB1KEAP1 | |
| SCHEMBL19711047 | 0.79 | ITGB2 (0.35) | ITGB2ICAM1ITGALADRB1KEAP1 | |
| SCHEMBL19667519 | 0.79 | PNMT (0.41) | ITGB2ICAM1ITGALADRB1KEAP1 | |
| SCHEMBL19684558 | 0.79 | MAP3K14 (0.41) | ITGB2ICAM1ITGALADRB1KEAP1 | |
| SCHEMBL21800420 | 0.76 | PNMT (0.44) | ITGB2ICAM1ITGALADRB1KEAP1 | |
| SCHEMBL945134 | 0.75 | ITGB2 (0.42) | CD44ITGB2ICAM1ITGALPARP1 | |
| SCHEMBL19678834 | 0.75 | SSTR4 (0.36) | ITGB2ICAM1ITGALADRB1KEAP1 | |
| SCHEMBL19710966 | 0.73 | MAPKAPK2 (0.33) | PNMT | |
| Hydrochloric Acid SCHEMBL3276367 | 0.73 | PRCP (0.54) | ITGB2ICAM1ITGALLMNAHTT | |
| Bromide SCHEMBL2483355 | 0.73 | ITGB2 (0.41) | CD44ITGB2ICAM1ITGALPARP1 |
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-3464249-B1 | SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS | PFIZER (US) | 2021-08-11 | — | — | EP | disclosed |