Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | TDP2 | O95551 | 1/20 | 0.31 |
| ▸ | TNF | P01375 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.30 |
| ▸ | NOD1 | Q9Y239 | 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 | |
|---|---|---|---|---|
| SCHEMBL5821767 | 0.93 | ESR1 (0.36) | SMN1; SMN2KDM4EALDH1A1ESR1PTGS1 | |
| SCHEMBL5820891 | 0.90 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1ESR1PTGS1PTGS2 | |
| SCHEMBL5815689 | 0.88 | GRIA1 (0.36) | ALDH1A1TP53ESR1PTGS1PTGS2 | |
| SCHEMBL5820973 | 0.86 | ALDH1A1 (0.43) | KDM4EALDH1A1HTT | |
| SCHEMBL5820972 | 0.80 | PTK2 (0.35) | SMN1; SMN2KMT2AALDH1A1TP53PTGS2 | |
| SCHEMBL5821417 | 0.78 | ALDH1A1 (0.36) | MEN1KMT2AALDH1A1ESR1 | |
| SCHEMBL5819681 | 0.77 | CA9 (0.43) | KMT2AALDH1A1PTGS1PTGS2 | |
| SCHEMBL5822322 | 0.77 | CA9 (0.43) | KMT2AALDH1A1PTGS1PTGS2 | |
| SCHEMBL5821175 | 0.75 | KMT2A (0.47) | MEN1KMT2APTGS1PTGS2 | |
| SCHEMBL5815528 | 0.74 | GAA (0.38) | KMT2APTGS1PTGS2 |
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 | claimed |