Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | PTPRC | P08575 | 3/20 | 0.47 |
| ▸ | S100A4 | P26447 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 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 | |
|---|---|---|---|---|
| SCHEMBL4702204 | 1.00 | ALDH1A1 (0.51) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL14979285 | 0.83 | ALDH1A1 (0.42) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL6673213 | 0.81 | ALDH1A1 (0.51) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL2532509 | 0.81 | ALDH1A1 (0.51) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL29122847 | 0.76 | ALDH1A1 (0.46) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL17075818 | 0.74 | CYP1A2 (0.47) | PTPRCS100A4CES1CYP3A4TDP1 | |
| SCHEMBL29440609 | 0.74 | CYP1A2 (0.47) | PTPRCS100A4CES1CYP3A4TDP1 | |
| SCHEMBL29440612 | 0.74 | CYP1A2 (0.47) | PTPRCS100A4CES1CYP3A4TDP1 | |
| SCHEMBL15256960 | 0.74 | ALDH1A1 (0.44) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL17737232 | 0.74 | ALDH1A1 (0.44) | ALDH1A1PTPRCS100A4BCHEACHE |
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-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 |