Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1346080 | 0.92 | LMNA (0.38) | ALDH1A1LMNATP53KDM4EPOLB | |
| SCHEMBL1348366 | 0.81 | ALOX5AP (0.41) | ALDH1A1LMNATP53KDM4EPOLB | |
| SCHEMBL2828724 | 0.79 | ALDH1A1 (0.42) | ALDH1A1LMNATP53KDM4EPOLB | |
| SCHEMBL1348334 | 0.78 | P2RY14 (0.42) | ALDH1A1LMNATP53KDM4EPOLB | |
| SCHEMBL1348361 | 0.78 | KDM4E (0.42) | ALDH1A1LMNATP53KDM4EPOLB | |
| SCHEMBL1348053 | 0.76 | ALDH1A1 (0.37) | ALDH1A1LMNATP53KDM4EPOLB | |
| SCHEMBL1349059 | 0.76 | KDM4E (0.39) | ALDH1A1LMNATP53KDM4EPOLB | |
| SCHEMBL1348948 | 0.73 | LMNA (0.40) | ALDH1A1LMNATP53KDM4EPOLB | |
| SCHEMBL1348086 | 0.73 | ALDH1A1 (0.36) | ALDH1A1TP53KDM4EPOLBMAPT | |
| SCHEMBL1349156 | 0.72 | POLB (0.38) | ALDH1A1LMNATP53THRBKDM4E |
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-1863818-B1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-03-10 | — | — | EP | disclosed |