Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 4/20 | 0.49 |
| ▸ | CTSG | P08311 | 1/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | PARL | Q9H300 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28547367 | 0.92 | MAPT (0.45) | MMP2CTSGCMA1ACHEALDH1A1 | |
| SCHEMBL28547430 | 0.85 | MMP2 (0.51) | MMP2CTSGCMA1PARLCA1 | |
| SCHEMBL29620267 | 0.81 | MMP2 (0.47) | MMP2CTSGCMA1AKR1B1PARL | |
| SCHEMBL28541517 | 0.81 | MMP2 (0.47) | MMP2CTSGCMA1PARLCA1 | |
| SCHEMBL1792200 | 0.74 | ALDH1A1 (0.71) | MMP2CTSGCMA1PARLCA1 | |
| SCHEMBL31173291 | 0.74 | ALDH1A1 (0.71) | MMP2CTSGCMA1PARLCA1 | |
| SCHEMBL28550859 | 0.73 | MMP2 (0.51) | MMP2CTSGCMA1PARLCA1 | |
| SCHEMBL28542268 | 0.71 | MAPT (0.47) | ACHEALDH1A1KMT2AMAPT | |
| SCHEMBL18221860 | 0.71 | MMP2 (0.51) | MMP2CTSGCMA1CA1CA2 | |
| SCHEMBL28541495 | 0.70 | ALDH1A1 (0.40) | ACHEALDH1A1KMT2AMEN1MAPT |
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-112608269-B | Method for catalytically synthesizing pyrrolidine by weak interaction of chalcogen | 山东大学 | 2022-05-06 | — | — | CN | disclosed |
| CN-112608269-A | Method for catalytically synthesizing pyrrolidine by weak interaction of chalcogen | 山东大学 | 2021-04-06 | — | — | CN | disclosed |