Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | 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 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | JAK1 | P23458 | 1/20 | 0.30 |
| ▸ | TYK2 | P29597 | 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 | |
|---|---|---|---|---|
| SCHEMBL5815499 | 0.90 | PTGS2 (0.35) | ALDH1A1KDM4EESR1PLAUKMT2A | |
| SCHEMBL5821480 | 0.90 | ALDH1A1 (0.41) | DHFRALDH1A1KDM4EESR1PLAU | |
| SCHEMBL5819669 | 0.86 | PTGS2 (0.39) | ALDH1A1ESR1PLAUCYP1A2CYP2C19 | |
| SCHEMBL5817545 | 0.82 | TDP1 (0.36) | DHFRTDP1ALDH1A1KDM4EESR1 | |
| SCHEMBL5821418 | 0.81 | TP53 (0.43) | ALDH1A1SMN1; SMN2KMT2ACYP2C9CYP2C19 | |
| SCHEMBL5822051 | 0.80 | KATNA1 (0.37) | DHFRALDH1A1KDM4EPLAUSMN1; SMN2 | |
| SCHEMBL4853028 | 0.79 | KDM4E (0.50) | DHFRTDP1ALDH1A1KDM4EKMT2A | |
| SCHEMBL5817617 | 0.78 | MAPK14 (0.36) | ALDH1A1KMT2AMEN1RXFP1 | |
| SCHEMBL5817771 | 0.76 | PTGS2 (0.43) | ALDH1A1KMT2AHTTGAA | |
| SCHEMBL7245244 | 0.76 | MAPK13 (0.40) | ALDH1A1KDM4EESR1KMT2ARXFP1 |
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 |