Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5821480 | 0.92 | ALDH1A1 (0.41) | ALDH1A1KDM4ENPSR1HPGDRXFP1 | |
| SCHEMBL5821418 | 0.91 | TP53 (0.43) | PTGS2TP53L3MBTL1ALDH1A1MAPT | |
| SCHEMBL5817548 | 0.90 | DHFR (0.36) | ALDH1A1KDM4ERXFP1ESR1MAPT | |
| SCHEMBL5819669 | 0.88 | PTGS2 (0.39) | PTGS2ALDH1A1ESR1PLAU | |
| SCHEMBL7245967 | 0.82 | ESR1 (0.39) | PTGS2TP53ALDH1A1ESR1MAPT | |
| SCHEMBL5822051 | 0.81 | KATNA1 (0.37) | ALDH1A1KDM4EHPGDMAPTHTT | |
| SCHEMBL5821043 | 0.81 | ESR1 (0.35) | PTGS2TP53ALDH1A1ESR1CNR1 | |
| SCHEMBL5817617 | 0.80 | MAPK14 (0.36) | TP53L3MBTL1ALDH1A1NPSR1RXFP1 | |
| SCHEMBL4855957 | 0.78 | KDM4E (0.47) | PTGS2L3MBTL1ALDH1A1KDM4ENPSR1 | |
| SCHEMBL4854626 | 0.78 | KDM4E (0.47) | PTGS2L3MBTL1ALDH1A1KDM4ENPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006129181-A2 | PREPARATION OF 4-PYRIMIDONE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2006-12-07 | — | — | WO | claimed |
| WO-2006129181-A2 | PREPARATION OF 4-PYRIMIDONE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2006-12-07 | — | — | WO | disclosed |