Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL633629 | 0.84 | TDP1 (0.46) | ATMTDP1CASP6CA1CA2 | |
| SCHEMBL9362952 | 0.82 | TDP1 (0.43) | ATMTDP1CASP6HIF1AALDH1A1 | |
| SCHEMBL288357 | 0.82 | TDP1 (0.43) | ATMTDP1CASP6HIF1AALDH1A1 | |
| SCHEMBL1584382 | 0.82 | TDP1 (0.43) | ATMTDP1CASP6HIF1AALDH1A1 | |
| SCHEMBL29154301 | 0.82 | TDP1 (0.45) | ATMTDP1CASP6CA1CA2 | |
| SCHEMBL13202165 | 0.78 | SLC6A2 (0.41) | ATMTDP1CASP6CA1HIF1A | |
| SCHEMBL1349352 | 0.78 | MAPK1 (0.51) | ATMTDP1CASP6HIF1AALDH1A1 | |
| SCHEMBL6194111 | 0.78 | GSK3B (0.44) | ATMTDP1CASP6HIF1AALDH1A1 | |
| SCHEMBL30514277 | 0.78 | KMT2A (0.53) | ATMTDP1CASP6HIF1AALDH1A1 | |
| SCHEMBL914504 | 0.78 | SMN1; SMN2 (0.42) | ATMTDP1HIF1AALDH1A1VCAM1 |
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-117550975-A | Preparation method of polyfluoroaryl or heteroaryl derivative | 福建润华化工有限公司 | 2024-02-13 | — | — | CN | disclosed |