Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | NOS3 | P29474 | 1/20 | 0.58 |
| ▸ | NOS1 | P29475 | 1/20 | 0.58 |
| ▸ | NOS2 | P35228 | 1/20 | 0.58 |
| ▸ | THPO | P40225 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | F2 | P00734 | 1/20 | 0.56 |
| ▸ | CFD | P00746 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 6/20 | 0.49 |
| ▸ | MAOB | P27338 | 6/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL62706 | 1.00 | LMNA (0.58) | LMNACYP1A2ADRA2ATSHRNOS3 | |
| SCHEMBL30557808 | 0.85 | LMNA (0.62) | LMNACYP1A2ADRA2ATSHRNOS3 | |
| SCHEMBL625761 | 0.85 | LMNA (0.62) | LMNACYP1A2ADRA2ATSHRNOS3 | |
| SCHEMBL1202291 | 0.78 | NOS1 (0.62) | LMNANOS3NOS1NOS2F2 | |
| SCHEMBL3132671 | 0.78 | MAOA (0.57) | LMNACYP1A2ADRA2ATSHRNOS3 | |
| SCHEMBL694149 | 0.78 | MAOA (0.61) | LMNAF2CFDGAAHPGD | |
| SCHEMBL31460362 | 0.78 | MAOA (0.57) | LMNACYP1A2ADRA2ATSHRNOS3 | |
| SCHEMBL14448380 | 0.78 | F2 (0.56) | LMNACYP1A2ADRA2ATSHRNOS3 | |
| SCHEMBL1147630 | 0.78 | F2 (0.56) | F2CFDMAOAMAOBCA12 | |
| SCHEMBL1668291 | 0.78 | F2 (0.56) | F2CFDGAAMAOAMAOB |
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-118055923-A | Benzodiazepine derivatives as positive allosteric modulators of the GABAA γ1 receptor | 豪夫迈·罗氏有限公司 | 2024-05-17 | — | — | CN | disclosed |