Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 4/20 | 0.39 |
| ▸ | CTSS | P25774 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28432121 | 0.85 | MEN1 (0.42) | CA12CA14CA1CA7MEN1 | |
| SCHEMBL16100172 | 0.75 | MEN1 (0.45) | CA12CA14CA1CA7MEN1 | |
| SCHEMBL18343870 | 0.74 | CA12 (0.44) | CA12CA14CA1CA7MEN1 | |
| SCHEMBL3458070 | 0.73 | TDP1 (0.42) | CA12CA14CA1CA7MEN1 | |
| SCHEMBL3579459 | 0.71 | KMT2A (0.41) | CA12CA14CA1CA7MEN1 | |
| SCHEMBL221274 | 0.71 | KMT2A (0.41) | CA12CA14CA1CA7MEN1 | |
| SCHEMBL4818756 | 0.71 | KMT2A (0.41) | CA12CA14CA1CA7MEN1 | |
| SCHEMBL3809117 | 0.71 | TDP1 (0.44) | CA12CA14CA1CA7MEN1 | |
| SCHEMBL30738873 | 0.71 | TDP1 (0.46) | CA12CA14CA1CA7MEN1 | |
| SCHEMBL17019827 | 0.69 | MEN1 (0.46) | CA1CA7MEN1GAAKMT2A |
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-107735399-B | Chiral diaryl macrocycles as modulators of protein kinases | 特普医药公司 | 2021-01-26 | — | — | CN | disclosed |