Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | UCHL3 | P15374 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5821043 | 0.90 | ESR1 (0.35) | ESR1ALDH1A1SMN1; SMN2HTTMAPT | |
| SCHEMBL5821476 | 0.90 | ALDH1A1 (0.43) | ESR1ALDH1A1RXFP1SMN1; SMN2HTT | |
| SCHEMBL5817584 | 0.88 | PTGS2 (0.39) | DHFRALDH1A1KMT2A | |
| SCHEMBL5819664 | 0.86 | PTGS2 (0.39) | ESR1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL5818149 | 0.85 | ESR1 (0.34) | TDP1ESR1ALDH1A1KMT2AMEN1 | |
| SCHEMBL5817548 | 0.82 | DHFR (0.36) | TDP1DHFRESR1ALDH1A1KMT2A | |
| SCHEMBL5821416 | 0.81 | AOC3 (0.42) | ALDH1A1KMT2ACYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL5817609 | 0.78 | MAPK13 (0.39) | ESR1ALDH1A1KMT2AMEN1RXFP1 | |
| SCHEMBL5821095 | 0.77 | CA9 (0.43) | ALDH1A1 | |
| SCHEMBL4853028 | 0.77 | KDM4E (0.50) | TDP1DHFRALDH1A1KMT2AMEN1 |
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 |