Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | MMP2 | P08253 | 1/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.58 |
| ▸ | OGG1 | O15527 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28983041 | 0.80 | CTRB1 (0.53) | CA12ALDH1A1LMNASMN1; SMN2GAA | |
| SCHEMBL28941491 | 0.76 | CHRNA1 (0.48) | SMN1; SMN2HPGDHDAC1CA1CA2 | |
| SCHEMBL13062204 | 0.76 | ALDH1A1 (0.64) | CA12MMP2CA14OGG1ALDH1A1 | |
| SCHEMBL1923460 | 0.74 | CA12 (0.54) | CA12MMP2CA14OGG1ALDH1A1 | |
| SCHEMBL970081 | 0.73 | MMP2 (0.58) | CA12MMP2CA14OGG1ALDH1A1 | |
| SCHEMBL6559629 | 0.73 | CA12 (0.53) | CA12MMP2CA14OGG1ALDH1A1 | |
| SCHEMBL13481186 | 0.72 | POLB (0.68) | OGG1ALDH1A1LMNASMN1; SMN2KMT2A | |
| SCHEMBL8575405 | 0.72 | OGG1 (0.67) | CA12MMP2CA14OGG1ALDH1A1 | |
| SCHEMBL1982518 | 0.72 | POLB (0.68) | OGG1ALDH1A1LMNASMN1; SMN2KMT2A | |
| SCHEMBL11068295 | 0.72 | OGG1 (0.67) | CA12MMP2CA14OGG1ALDH1A1 |
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-111655681-B | Heterocyclylamino-substituted triazoles as modulators of Rho-related protein kinases | 莱德克斯制药公共有限公司 | 2024-01-05 | — | — | CN | disclosed |