Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28610431 | 0.91 | XDH (0.45) | VCAM1ALDH1A1LMNASTAT3GAA | |
| SCHEMBL28596304 | 0.84 | XDH (0.43) | VCAM1ALDH1A1LMNASTAT3GAA | |
| SCHEMBL28592963 | 0.80 | XDH (0.44) | VCAM1ALDH1A1LMNAGAAXDH | |
| SCHEMBL28591152 | 0.79 | XDH (0.45) | VCAM1ALDH1A1LMNAGAAXDH | |
| SCHEMBL12107178 | 0.78 | L3MBTL1 (0.45) | ALDH1A1LMNASTAT3GAAHPGD | |
| SCHEMBL28601590 | 0.78 | STAT3 (0.46) | ALDH1A1STAT3GAAHPGDKDM4E | |
| SCHEMBL28597242 | 0.76 | XDH (0.45) | VCAM1ALDH1A1LMNASTAT3GAA | |
| SCHEMBL2845693 | 0.76 | IMPDH2 (0.51) | VCAM1ALDH1A1LMNAGAASMN1; SMN2 | |
| SCHEMBL28702996 | 0.76 | XDH (0.48) | VCAM1ALDH1A1LMNAGAAXDH | |
| SCHEMBL980637 | 0.74 | PDE4B (0.58) | ALDH1A1LMNASTAT3GAAHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113173918-B | N-indole-1, 6-dihydropyrimidine-4-carboxamide derivative and preparation method and application thereof | 沈阳药科大学 | 2022-04-05 | — | — | CN | disclosed |
| CN-113173918-A | N-indole-1, 6-dihydropyrimidine-4-carboxamide derivative and preparation method and application thereof | 沈阳药科大学 | 2021-07-27 | — | — | CN | disclosed |