Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | TP53 | P04637 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL10339682 | 0.84 | MAPT (0.43) | NPC1HTTMAPTRAB9ATP53 | |
| SCHEMBL428750 | 0.75 | HTT (0.57) | NPC1HTTMAPTRAB9AALDH1A1 | |
| SCHEMBL30509199 | 0.75 | HTT (0.57) | NPC1HTTMAPTRAB9AALDH1A1 | |
| SCHEMBL12717346 | 0.74 | MAPT (0.46) | NPC1HTTMAPTRAB9ATP53 | |
| SCHEMBL2894690 | 0.74 | NPC1 (0.45) | NPC1HTTMAPTRAB9AALDH1A1 | |
| SCHEMBL24921602 | 0.73 | HDAC1 (0.40) | NPC1HTTMAPTRAB9ATP53 | |
| SCHEMBL1250902 | 0.73 | SMN1; SMN2 (0.67) | NPC1MAPTRAB9ATP53ALDH1A1 | |
| SCHEMBL29132991 | 0.72 | LRRK2 (0.47) | HTTMAPTALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL14363614 | 0.72 | HSP90AA1 (0.49) | NPC1MAPTRAB9ATP53ALDH1A1 | |
| SCHEMBL5883322 | 0.71 | KDM4E (0.46) | NPC1HTTMAPTRAB9ATP53 |
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 |