Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28642415 | 0.88 | ALDH1A1 (0.45) | PIK3CATHRBTSHRALDH1A1MEN1 | |
| SCHEMBL29187787 | 0.82 | ALOX5 (0.37) | THRBTSHRALDH1A1MAPTLMNA | |
| SCHEMBL29187789 | 0.80 | CPB2 (0.38) | THRBALDH1A1L3MBTL1MAPTSMN1; SMN2 | |
| SCHEMBL29187782 | 0.79 | ALOX5 (0.34) | THRB | |
| SCHEMBL24034328 | 0.76 | THRB (0.43) | PIK3CATHRBTSHRALDH1A1MEN1 | |
| SCHEMBL23901946 | 0.75 | TSHR (0.41) | PIK3CATHRBTSHRALDH1A1MEN1 | |
| SCHEMBL23901922 | 0.71 | THRB (0.38) | PIK3CATHRBTSHRALDH1A1MEN1 | |
| SCHEMBL29187788 | 0.71 | CPB2 (0.36) | ALDH1A1KMT2AL3MBTL1SMN1; SMN2NPC1 | |
| SCHEMBL22302407 | 0.71 | THRB (0.38) | PIK3CATHRBTSHRALDH1A1MEN1 | |
| SCHEMBL29187790 | 0.70 | HPGD (0.42) | PIK3CATHRBALDH1A1L3MBTL1USP2 |
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-115052866-B | Crystal form of nitrogen-containing heteroaromatic derivative free alkali | 上海翰森生物医药科技有限公司 | 2024-06-25 | — | — | CN | disclosed |
| CN-115353509-B | Nitrogen-containing heteroaromatic derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2024-04-12 | — | — | CN | disclosed |