Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | PARP1 | P09874 | 3/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.36 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 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 | |
|---|---|---|---|---|
| SCHEMBL25368500 | 0.81 | ALDH1A1 (0.50) | ALDH1A1ROCK2TSHR | |
| SCHEMBL25369624 | 0.81 | ALDH1A1 (0.50) | ALDH1A1PARP1MAPTGRM5ROCK2 | |
| SCHEMBL17801460 | 0.81 | ALDH1A1 (0.50) | TYMSALDH1A1PARP1MAPTGRM5 | |
| SCHEMBL31474671 | 0.79 | CSNK2A1 (0.51) | TYMSALDH1A1MAPTCTSBTSHR | |
| SCHEMBL31474672 | 0.79 | CSNK2A1 (0.51) | TYMSALDH1A1MAPTCTSBTSHR | |
| SCHEMBL397138 | 0.79 | CSNK2A1 (0.51) | TYMSALDH1A1MAPTCTSBTSHR | |
| SCHEMBL25367357 | 0.78 | ALDH1A1 (0.47) | ALDH1A1MAPTLMNACYP1A2CYP3A4 | |
| SCHEMBL5386815 | 0.76 | PARP1 (0.54) | ALDH1A1PARP1MAPTLMNACYP3A4 | |
| SCHEMBL29613224 | 0.76 | PARP1 (0.54) | ALDH1A1PARP1MAPTLMNACYP3A4 | |
| SCHEMBL1571812 | 0.73 | CSNK2A1 (0.58) | PARP1ROCK2 |
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-109456308-B | Heterocyclic compounds as ASK inhibitors and their use | 南京圣和药业股份有限公司 | 2022-11-29 | — | — | CN | disclosed |
| CN-109456308-A | Heterocyclic compound and its application as ASK inhibitor | 南京圣和药业股份有限公司 | 2019-03-12 | — | — | CN | disclosed |