Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
| ▸ | GABRE | P78334 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 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 | |
|---|---|---|---|---|
| SCHEMBL13601550 | 0.90 | KDM4E (0.44) | KDM4EMAPTTSHRGABRPGABRD | |
| SCHEMBL8224141 | 0.81 | MAPT (0.49) | MAPTPKMTSHRGABRPGABRD | |
| SCHEMBL2235927 | 0.81 | MAPT (0.49) | MAPTPKMTSHRGABRPGABRD | |
| SCHEMBL12994147 | 0.81 | MAPT (0.49) | MAPTPKMTSHRGABRPGABRD | |
| SCHEMBL7403468 | 0.80 | SIGMAR1 (0.41) | MAPTPKMSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL29447270 | 0.80 | MAPT (0.51) | MAPTPKMALDH1A1 | |
| Hydrochloric Acid SCHEMBL30448400 | 0.80 | MAPT (0.51) | MAPTPKMALDH1A1 | |
| Hydrochloric Acid SCHEMBL3902332 | 0.80 | MAPT (0.51) | MAPTPKMALDH1A1 | |
| SCHEMBL16114958 | 0.75 | GABRA5 (0.40) | KDM4EMAPTPKMSLC6A1TSHR | |
| SCHEMBL9151092 | 0.75 | TSHR (0.33) | KDM4EMAPTPKMSLC6A1TSHR |
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-113801163-A | II-type pyruvate kinase inhibitor based on organic arsenic and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2021-12-17 | — | — | CN | disclosed |