Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.31 |
| ▸ | GABRE | P78334 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7333482 | 0.79 | MMP3 (0.38) | PDK1CYP1A2KDM4ECYP2C19TBXAS1 | |
| SCHEMBL7004409 | 0.77 | TRPM8 (0.37) | KMT2AP2RX7 | |
| SCHEMBL31132517 | 0.72 | MMP3 (0.41) | PDK1CYP1A2KDM4ECYP2C19TBXAS1 | |
| SCHEMBL24869246 | 0.71 | P2RX7 (0.31) | P2RX7 | |
| Hydrochloric Acid SCHEMBL7324922 | 0.71 | MMP3 (0.40) | PDK1CYP1A2KDM4ECYP2C19TBXAS1 | |
| SCHEMBL1418224 | 0.70 | P2RX7 (0.35) | KDM4ECYP2C19P2RX7 | |
| Hydrochloric Acid SCHEMBL440947 | 0.69 | PDK1 (0.37) | MAPTPDK1KDM4EGABRPGABRD | |
| SCHEMBL15723732 | 0.68 | PDE3B (0.33) | KDM4EKMT2A | |
| SCHEMBL18762232 | 0.67 | ADORA2A (0.32) | — | |
| SCHEMBL31132699 | 0.67 | P2RX7 (0.40) | MAPTPDK1CYP1A2TBXAS1GABRP |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023279986-A1 | SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF | 贝达药业股份有限公司 | 2023-01-12 | — | — | WO | disclosed |