Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | DDO | Q99489 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | INPPL1 | O15357 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL30075996 | 1.00 | PTGS1 (0.35) | PTGS1MEN1ALDH1A1KMT2AENPP2 | |
| Boric Acid SCHEMBL28889545 | 0.91 | CYP11B1 (0.32) | PTGS1 | |
| SCHEMBL27235544 | 0.79 | NPC1 (0.38) | ALDH1A1ENPP2KDM4ECYP3A4GAA | |
| SCHEMBL29953975 | 0.79 | NPC1 (0.38) | ALDH1A1ENPP2KDM4ECYP3A4GAA | |
| SCHEMBL26059108 | 0.79 | TSHR (0.37) | MEN1ALDH1A1KMT2AENPP2DNMT1 | |
| SCHEMBL26987786 | 0.79 | ESR1 (0.36) | ESR2ESR1 | |
| SCHEMBL24652317 | 0.78 | MEN1 (0.46) | MEN1ALDH1A1KMT2ADNMT1CACNA1B | |
| SCHEMBL29386370 | 0.77 | NQO2 (0.52) | MEN1ALDH1A1KMT2ADNMT1CACNA1B | |
| SCHEMBL30084670 | 0.77 | NQO2 (0.52) | MEN1ALDH1A1KMT2ADNMT1CACNA1B | |
| SCHEMBL31609498 | 0.76 | ESR1 (0.39) | DAOESR2CYP3A4ALOX15ESR1 |
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-115368381-A | Preparation and application of heterocyclic inhibitor | 药雅科技(上海)有限公司 | 2022-11-22 | — | — | CN | disclosed |