Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 4/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | BUB1 | O43683 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | AXL | P30530 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30092492 | 0.77 | SCN9A (0.38) | SCN9ABUB1ADORA3ADORA2AAXL | |
| SCHEMBL16935982 | 0.77 | SCN9A (0.38) | SCN9ABUB1ADORA3ADORA2AAXL | |
| SCHEMBL19631375 | 0.72 | SCN9A (0.36) | SCN9ABUB1AXLAAK1BRD4 | |
| SCHEMBL16935925 | 0.71 | SCN9A (0.46) | SCN9AAXLAAK1BRD4 | |
| SCHEMBL18352379 | 0.71 | SCN9A (0.40) | SCN9ABUB1AXLAAK1BRD4 | |
| SCHEMBL21941640 | 0.70 | SCN9A (0.40) | SCN9ABUB1AXLBRD4CCNT1 | |
| SCHEMBL16947092 | 0.70 | NTRK1 (0.46) | SCN9A | |
| SCHEMBL3166414 | 0.69 | CA12 (0.46) | SCN9AADORA3ADORA2ABRD4SMN1; SMN2 | |
| SCHEMBL18357985 | 0.69 | SCN9A (0.41) | SCN9ABUB1ADORA3ADORA2AAXL | |
| SCHEMBL21076678 | 0.69 | SCN9A (0.36) | SCN9ABUB1ADORA3ADORA2AAXL |
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 |
|---|---|---|---|---|---|---|---|
| CN-110317214-B | Diaryl macrocycles as modulators of protein kinases | 特普医药公司 | 2022-11-22 | — | — | CN | disclosed |
| EP-3572416-B1 | DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES | TURNING POINT THERAPEUTICS INC (US) | 2022-09-21 | — | — | EP | disclosed |