Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 5/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.37 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1338078 | 0.82 | CYP2A13 (0.40) | CXCR4KDM4EALDH1A1HTTCYP2A13 | |
| SCHEMBL3632409 | 0.74 | ATR (0.36) | LMNAKMT2ACYP2C9 | |
| SCHEMBL3632602 | 0.74 | GRK2 (0.36) | KDM4E | |
| SCHEMBL2878614 | 0.73 | JAK2 (0.37) | CYP2A13ADORA2AADORA1 | |
| SCHEMBL3627332 | 0.68 | TRPV1 (0.37) | KDM4EALDH1A1LMNAMAPTADORA2A | |
| SCHEMBL1338861 | 0.68 | CYP2A13 (0.61) | CXCR4ALDH1A1CYP2A13CYP2C9ALOX15 | |
| SCHEMBL14830903 | 0.67 | CYP17A1 (0.53) | — | |
| SCHEMBL593920 | 0.66 | CYP2A6 (0.55) | MAPTHSD17B10 | |
| SCHEMBL3632407 | 0.66 | AOC1 (0.40) | KDM4EMAPTKMT2AADORA2AADORA1 | |
| SCHEMBL4732925 | 0.65 | CYP2C9 (0.57) | CXCR4KDM4EALDH1A1CYP2A13LMNA |
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-2125794-B1 | IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER | LILLY CO ELI (US) | 2010-10-20 | — | — | EP | disclosed |