Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL29207775 | 0.93 | CYP1A2 (0.44) | CYP1A2MEN1KMT2AMAPTCTSK | |
| SCHEMBL29207773 | 0.93 | CYP1A2 (0.44) | CYP1A2MEN1KMT2AMAPTCTSK | |
| SCHEMBL29207742 | 0.85 | CYP1A2 (0.41) | CYP1A2MEN1KMT2AMAPTCTSK | |
| SCHEMBL29207744 | 0.85 | CYP1A2 (0.41) | CYP1A2MEN1KMT2AMAPTCTSK | |
| SCHEMBL29207661 | 0.82 | NPC1 (0.41) | MEN1KMT2AMAPTNPC1LMNA | |
| SCHEMBL29207667 | 0.82 | NPC1 (0.41) | MEN1KMT2AMAPTNPC1LMNA | |
| SCHEMBL30133146 | 0.80 | CYP1A2 (0.43) | CYP1A2MEN1KMT2AMAPTCTSK | |
| SCHEMBL30133082 | 0.80 | CYP1A2 (0.43) | CYP1A2MEN1KMT2AMAPTCTSK | |
| SCHEMBL30133127 | 0.80 | CYP1A2 (0.43) | CYP1A2MEN1KMT2AMAPTCTSK | |
| SCHEMBL30133105 | 0.78 | CYP1A2 (0.44) | CYP1A2CTSK |
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-118019745-A | Cyclohepta-thieno-diazapine derivatives as positive allosteric modulators of the GABAA gamma 1 receptor | 豪夫迈·罗氏有限公司 | 2024-05-10 | — | — | CN | disclosed |