Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.30 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.30 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.30 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5844811 | 0.79 | PPP5C (0.33) | — | |
| SCHEMBL29106910 | 0.76 | KDM4E (0.40) | PARP15PARP10KDM4EALDH1A1HPGD | |
| SCHEMBL8171886 | 0.75 | — | — | |
| SCHEMBL5708638 | 0.75 | PTPN1 (0.37) | — | |
| SCHEMBL811340 | 0.74 | DGAT1 (0.58) | DGAT1ROCK2PARP1CASP1PARP15 | |
| SCHEMBL2323641 | 0.70 | DGAT1 (0.54) | DGAT1ROCK2PARP1CASP1PARP15 | |
| Hydrochloric Acid SCHEMBL29810612 | 0.69 | DGAT1 (0.52) | DGAT1ROCK2PARP1CASP1PARP15 | |
| SCHEMBL6068628 | 0.67 | DGAT1 (0.50) | DGAT1ROCK2PARP1CASP1PARP15 | |
| SCHEMBL1196525 | 0.67 | DGAT1 (0.46) | DGAT1PARP1CASP1PARP15PARP10 | |
| SCHEMBL149390 | 0.66 | — | — |
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-114907338-A | Nitrogen-containing polycyclic fused ring compound, and pharmaceutical composition, preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2022-08-16 | — | — | CN | disclosed |