Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | KDM4A | O75164 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | MPI | P34949 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13014294 | 0.93 | CASP3 (0.46) | ALDH1A1KDM4EKDM4AUSP2MPI | |
| SCHEMBL13014439 | 0.91 | KIF11 (0.41) | ALDH1A1KDM4EKDM4AUSP2MPI | |
| SCHEMBL13014248 | 0.90 | ABCC1 (0.48) | ALDH1A1KDM4EKDM4AUSP2MPI | |
| SCHEMBL13014441 | 0.84 | KIF11 (0.40) | ALDH1A1KDM4ENPSR1TSHRCASP3 | |
| SCHEMBL13014429 | 0.84 | ADORA3 (0.51) | ALDH1A1KDM4EACHECACNA1DTSHR | |
| SCHEMBL13013021 | 0.83 | ABCC1 (0.41) | ALDH1A1KDM4EKDM4AUSP2MPI | |
| SCHEMBL13013020 | 0.83 | ABCC1 (0.40) | ALDH1A1KDM4EABCC1NPSR1TSHR | |
| SCHEMBL13014002 | 0.83 | ABCC1 (0.42) | ALDH1A1KDM4EABCC1NPSR1TSHR | |
| SCHEMBL3433331 | 0.83 | CASP3 (0.49) | ALDH1A1KDM4EACHENPSR1CASP3 | |
| SCHEMBL13013458 | 0.79 | ADORA3 (0.44) | ALDH1A1KDM4EACHEDHODHABCC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010149786-A1 | PYRIDO [2, 3-D] PYRIMIDINES AS WNT ANTAGONISTS FOR TREATMENT OF CANCER AND ARTHRITIS | DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) | 2010-12-29 | — | — | WO | disclosed |