Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.37 |
| ▸ | GNRHR | P30968 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30130296 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TSHREGLN1P2RX3KDM4E | |
| SCHEMBL30130292 | 0.84 | PDE1B (0.43) | ALDH1A1TSHREGLN1P2RX3KDM4E | |
| SCHEMBL30130239 | 0.80 | CLPP (0.49) | ALDH1A1TSHRP2RX3KDM4EMAPK1 | |
| SCHEMBL24914779 | 0.80 | CLPP (0.49) | ALDH1A1TSHRP2RX3KDM4EMAPK1 | |
| SCHEMBL22845413 | 0.77 | PDE1B (0.49) | PDE1BGNRHRGAA | |
| Acetic Acid SCHEMBL22717314 | 0.74 | PDE1B (0.46) | ALDH1A1TSHRKDM4EPDE1BGNRHR | |
| SCHEMBL22845308 | 0.67 | DPP4 (0.52) | — | |
| SCHEMBL24914516 | 0.65 | CLPP (0.65) | PDE1B | |
| SCHEMBL23120457 | 0.65 | ALDH1A1 (0.49) | ALDH1A1TSHRKDM4EMAPK1MEN1 | |
| SCHEMBL6110107 | 0.64 | ALDH1A1 (0.44) | ALDH1A1TSHRKDM4EMAPK1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023284807-A1 | COMPOUND CONTAINING TETRAHYDRONAPHTHYRIDONE OR TETRAHYDROPYRIDOPYRIMIDINONE SKELETON, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | 中国药科大学 | 2023-01-19 | — | — | WO | disclosed |
| CN-115611896-A | Compound containing tetralone or tetrahydropyridopyrimidone skeleton and preparation method and pharmaceutical application thereof | 中国药科大学 | 2023-01-17 | — | — | CN | disclosed |