Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | G6PD | P11413 | 1/20 | 0.34 |
| ▸ | OXTR | P30559 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | UBE2N | P61088 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5821767 | 0.93 | ESR1 (0.36) | ALDH1A1CNR1KDM4ECNR2 | |
| SCHEMBL5820891 | 0.90 | ALDH1A1 (0.41) | ALDH1A1NPSR1RAB9ALMNANPC1 | |
| SCHEMBL5815689 | 0.88 | GRIA1 (0.36) | ALDH1A1NPSR1GRM5 | |
| SCHEMBL5819683 | 0.86 | HCAR1 (0.34) | ALDH1A1KDM4EHTT | |
| SCHEMBL5820972 | 0.85 | PTK2 (0.35) | ALDH1A1RAB9ALMNANPC1HTT | |
| SCHEMBL5818323 | 0.85 | G6PD (0.53) | ALDH1A1LMNAMAPK1G6PDKDM4E | |
| SCHEMBL5821417 | 0.78 | ALDH1A1 (0.36) | ALDH1A1LMNAGRM5 | |
| SCHEMBL5822322 | 0.77 | CA9 (0.43) | ALDH1A1 | |
| SCHEMBL5819681 | 0.77 | CA9 (0.43) | ALDH1A1 | |
| SCHEMBL5821175 | 0.75 | KMT2A (0.47) | GRM5 |
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-2006129181-A2 | PREPARATION OF 4-PYRIMIDONE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2006-12-07 | — | — | WO | disclosed |