Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30740802 | 0.86 | S1PR1 (0.41) | SIGMAR1NPC1JAK2ALDH1A1HTT | |
| SCHEMBL29103497 | 0.86 | S1PR1 (0.41) | SIGMAR1NPC1JAK2ALDH1A1HTT | |
| SCHEMBL30740685 | 0.76 | GBA1 (0.43) | HTT | |
| SCHEMBL29103622 | 0.73 | MRGPRX4 (0.48) | NPC1ALDH1A1RAB9ALMNAPOLB | |
| Trimethylammonium SCHEMBL6257520 | 0.70 | TAAR1 (0.50) | ALDH1A1HSP90AA1MAPK1CYP2C19 | |
| SCHEMBL30893848 | 0.70 | ALDH1A1 (0.48) | SIGMAR1ALDH1A1HTTLMNAMAPT | |
| SCHEMBL21847308 | 0.70 | ALDH1A1 (0.48) | SIGMAR1ALDH1A1HTTLMNAMAPT | |
| SCHEMBL14948434 | 0.70 | CYP2C19 (0.46) | NPC1JAK2ALDH1A1HTTRAB9A | |
| Bromide SCHEMBL9314798 | 0.69 | ALDH1A1 (0.47) | SIGMAR1ALDH1A1HTTLMNAMAPT | |
| SCHEMBL177507 | 0.68 | — | — |
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-117043154-A | GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof | 卡莫特医疗有限公司 | 2023-11-10 | — | — | CN | disclosed |