Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133149 | 1.00 | HTT (0.46) | HTTPOLBMAPTLMNAALDH1A1 | |
| SCHEMBL482054 | 0.81 | ALDH1A1 (0.43) | HTTPOLBLMNAALDH1A1L3MBTL1 | |
| SCHEMBL482052 | 0.81 | ALDH1A1 (0.43) | HTTPOLBLMNAALDH1A1L3MBTL1 | |
| SCHEMBL1439471 | 0.81 | ALDH1A1 (0.43) | HTTPOLBLMNAALDH1A1L3MBTL1 | |
| SCHEMBL1439285 | 0.79 | HTT (0.47) | HTTPOLBMAPTLMNAALDH1A1 | |
| SCHEMBL1439475 | 0.79 | POLB (0.47) | HTTPOLBLMNAALDH1A1L3MBTL1 | |
| SCHEMBL1439477 | 0.79 | POLB (0.47) | HTTPOLBLMNAALDH1A1L3MBTL1 | |
| SCHEMBL1439281 | 0.79 | HTT (0.47) | HTTPOLBMAPTLMNAALDH1A1 | |
| SCHEMBL17111015 | 0.78 | HPGD (0.49) | HTTPOLBLMNAALDH1A1L3MBTL1 | |
| SCHEMBL23803476 | 0.75 | POLB (0.63) | HTTPOLBMAPTALDH1A1CYP1A2 |
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-117088884-A | Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses | 上海赛默罗德生物科技有限公司 | 2023-11-21 | — | — | CN | disclosed |