Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 7/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5034834 | 0.77 | MAPT (0.54) | AURKAAURKBRAB9ASMN1; SMN2MAPT | |
| SCHEMBL5035841 | 0.76 | MAPK13 (0.56) | P2RX3RAB9ASMN1; SMN2MAPTNPC1 | |
| SCHEMBL23334316 | 0.72 | DHODH (0.56) | AURKAAURKBP2RX3RAB9ASMN1; SMN2 | |
| SCHEMBL10235581 | 0.71 | DHODH (0.58) | AURKAAURKBRAB9ASMN1; SMN2MAPT | |
| SCHEMBL29976800 | 0.69 | SMN1; SMN2 (0.36) | RAB9ASMN1; SMN2NPC1HPGDDHODH | |
| SCHEMBL29976542 | 0.68 | SMN1; SMN2 (0.41) | RAB9ASMN1; SMN2NPC1HPGDKMT2A | |
| SCHEMBL29977188 | 0.68 | SMN1; SMN2 (0.40) | P2RX3RAB9ASMN1; SMN2NPC1HPGD | |
| SCHEMBL29976559 | 0.68 | SMN1; SMN2 (0.50) | RAB9ASMN1; SMN2NPC1HPGDDHODH | |
| SCHEMBL12291072 | 0.68 | CDC7 (0.55) | AURKAAURKBRAB9ASMN1; SMN2MAPT | |
| SCHEMBL525917 | 0.68 | RAB9A (0.50) | RAB9ASMN1; SMN2MAPTNPC1CDC7 |
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-115403558-A | Aromatic heterocyclic compound with antitumor activity and preparation method and application thereof | 河南真实生物科技有限公司 | 2022-11-29 | — | — | CN | disclosed |