Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
| ▸ | CYP26A1 | O43174 | 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 | |
|---|---|---|---|---|
| SCHEMBL27682122 | 0.79 | ADORA2A (0.38) | LTA4HHDAC6HDAC1 | |
| SCHEMBL3670588 | 0.78 | LTA4H (0.40) | LTA4HCYP19A1MEN1HPGDKMT2A | |
| SCHEMBL27968275 | 0.76 | CYP1A2 (0.43) | LTA4HMEN1HPGDKMT2AHSD17B10 | |
| SCHEMBL754082 | 0.72 | ADORA2A (0.47) | LTA4HMEN1KMT2AHDAC6HDAC1 | |
| SCHEMBL25936242 | 0.69 | ADORA2A (0.38) | LTA4HHDAC6HDAC1 | |
| SCHEMBL6664459 | 0.69 | HDAC6 (0.58) | LTA4HHDAC6ALDH1A1 | |
| SCHEMBL325140 | 0.69 | HDAC1 (0.61) | LTA4HMEN1KMT2AHDAC6HDAC1 | |
| SCHEMBL10574342 | 0.67 | KMT2A (0.50) | LTA4HMEN1KMT2AALDH1A1TSHR | |
| SCHEMBL5803499 | 0.65 | HDAC6 (0.40) | LTA4HHDAC6HDAC1 | |
| SCHEMBL277148 | 0.65 | HDAC6 (0.46) | LTA4HHDAC6HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109608462-A | A kind of 7- alkyl -9- alcoxyl/mercaptopurine -8- ketone compounds and its synthetic method and the application in drug | 华南理工大学 | 2019-04-12 | — | — | CN | disclosed |