Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29065886 | 0.88 | S1PR1 (0.47) | LMNAMAPTCA1ALDH1A1HTT | |
| SCHEMBL29065876 | 0.88 | LMNA (0.52) | LMNAMAPTNPSR1CA1ALDH1A1 | |
| SCHEMBL29065879 | 0.88 | CA1 (0.56) | LMNAMAPTNPSR1CA1ALDH1A1 | |
| SCHEMBL29065896 | 0.82 | MAPT (0.69) | LMNAMAPTNPSR1CA1ALDH1A1 | |
| SCHEMBL30530203 | 0.82 | MAPT (0.69) | LMNAMAPTNPSR1CA1ALDH1A1 | |
| SCHEMBL29065882 | 0.82 | LMNA (0.42) | LMNAMAPTNPSR1CA1ALDH1A1 | |
| SCHEMBL29065874 | 0.77 | RAB9A (0.44) | LMNACA1ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL29065864 | 0.74 | CA1 (0.61) | LMNAMAPTCA1ALDH1A1HTT | |
| SCHEMBL29065863 | 0.74 | CA1 (0.78) | LMNAMAPTNPSR1CA1ALDH1A1 | |
| SCHEMBL30530180 | 0.74 | CA1 (0.78) | LMNAMAPTNPSR1CA1ALDH1A1 |
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-116715596-A | Method for synthesizing beta-aminoketone compound by synergistic catalysis of cyclopentadienyl titanium/Bronsted acid | 宁夏师范学院 | 2023-09-08 | — | — | CN | disclosed |