Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 2/20 | 0.48 |
| ▸ | BRAF | P15056 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 6/20 | 0.43 |
| ▸ | MMP2 | P08253 | 4/20 | 0.43 |
| ▸ | MMP14 | P50281 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3603471 | 1.00 | NUDT1 (0.48) | NUDT1BRAFKDM4EALDH1A1HPGD | |
| SCHEMBL22554309 | 0.86 | ABL1 (0.44) | NUDT1GLAGAA | |
| SCHEMBL30731054 | 0.86 | ABL1 (0.44) | NUDT1GLAGAA | |
| SCHEMBL17126117 | 0.84 | NUDT1 (0.48) | NUDT1BRAFKDM4EALDH1A1HPGD | |
| SCHEMBL3195922 | 0.83 | NUDT1 (0.47) | NUDT1BRAFKDM4EALDH1A1HPGD | |
| SCHEMBL17126124 | 0.81 | NUDT1 (0.45) | NUDT1BRAFKDM4EALDH1A1HPGD | |
| SCHEMBL28912343 | 0.79 | NUDT1 (0.36) | NUDT1BRAF | |
| SCHEMBL22554070 | 0.78 | DAO (0.44) | NUDT1BRAFKDM4EALDH1A1HPGD | |
| SCHEMBL30731002 | 0.78 | DAO (0.44) | NUDT1BRAFKDM4EALDH1A1HPGD | |
| SCHEMBL28459983 | 0.78 | ALDH1A1 (0.46) | KDM4EALDH1A1HPGDRAB9ASMN1; SMN2 |
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-112088157-B | Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors | 拉文纳制药公司 | 2023-12-26 | — | — | CN | disclosed |