Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 6/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 3/20 | 0.33 |
| ▸ | CTSL | P07711 | 2/20 | 0.33 |
| ▸ | CTSB | P07858 | 2/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6750482 | 0.84 | CA1 (0.40) | CA1CA7CA12CA14KDM4E | |
| SCHEMBL13197738 | 0.75 | CA1 (0.44) | CA1CA7CA12CA14KDM4E | |
| SCHEMBL10199933 | 0.73 | CA1 (0.43) | CA1CA7CA12CA14KDM4E | |
| SCHEMBL6007384 | 0.73 | CTSS (0.43) | CA1CA7CA12CA14KDM4E | |
| SCHEMBL2788302 | 0.70 | AKT1 (0.44) | CA1CA7CA12CA14KDM4E | |
| SCHEMBL22729205 | 0.70 | TDP1 (0.45) | CA1CA7CA12CA14KDM4E | |
| SCHEMBL2942682 | 0.69 | AKT1 (0.43) | CA1CA7CA12CA14KDM4E | |
| SCHEMBL25626589 | 0.68 | HDAC6 (0.37) | CA1CA7CA12CA14KDM4E | |
| SCHEMBL19185176 | 0.68 | AKT1 (0.40) | CA1CA7CA12CA14AKT1 | |
| SCHEMBL262217 | 0.67 | MEN1 (0.46) | CA1CA7CA12CA14TDP1 |
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-2023006087-A1 | MACROCYCLIC PYRIDONE COMPOUND AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2023-02-02 | — | — | WO | disclosed |