Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 7/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.31 |
| ▸ | MDM4 | O15151 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL30965305 | 1.00 | HCAR2 (0.46) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL94676 | 0.82 | HCAR2 (0.58) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL27044 | 0.82 | FFAR3 (0.35) | HCAR2ALDH1A1SOAT1 | |
| SCHEMBL27043 | 0.82 | FFAR3 (0.35) | HCAR2ALDH1A1SOAT1 | |
| SCHEMBL94677 | 0.82 | HCAR2 (0.58) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL6445496 | 0.82 | HCAR2 (0.58) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL3555075 | 0.82 | FFAR3 (0.35) | HCAR2ALDH1A1SOAT1 | |
| SCHEMBL31243567 | 0.73 | HCAR2 (0.52) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL31207200 | 0.73 | HCAR2 (0.52) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL5531263 | 0.71 | NPSR1 (0.42) | HCAR2MAPTNPSR1ALDH1A1LMNA |
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-111343987-B | Macrocyclic compounds as TRK kinase inhibitors and uses thereof | 安杰斯制药公司 | 2024-08-23 | — | — | CN | disclosed |