Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28384567 | 0.96 | ALDH1A1 (0.45) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL11245142 | 0.94 | KDM4E (0.47) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL381188 | 0.92 | ALDH1A1 (0.48) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL13209025 | 0.79 | TSHR (0.39) | GAAMGAMSIMGAM2KMT2A | |
| SCHEMBL17298357 | 0.78 | GAA (0.44) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL1186304 | 0.78 | CYP2C19 (0.46) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL16877111 | 0.76 | GAA (0.43) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL7848700 | 0.75 | GAA (0.46) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL12923292 | 0.73 | GAA (0.44) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL8264963 | 0.73 | CYP2C19 (0.50) | ALDH1A1TRPA1GAAMGAMSI |
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-108659000-B | Heterocyclic compounds and process for preparing the same | 成都海创药业有限公司 | 2020-03-31 | — | — | CN | disclosed |
| CN-108659000-A | Heterocyclic compound and preparation method thereof | 成都海创药业有限公司 | 2018-10-16 | — | — | CN | disclosed |