Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | PPIF | P30405 | 1/20 | 0.41 |
| ▸ | IDH2 | P48735 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PPIA | P62937 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1430486 | 0.88 | ALDH1A1 (0.50) | SMN1; SMN2ALDH1A1HTTLMNARAB9A | |
| SCHEMBL29128723 | 0.83 | IDH2 (0.44) | SMN1; SMN2ALDH1A1HTTLMNARAB9A | |
| SCHEMBL29128703 | 0.80 | NPC1 (0.48) | SMN1; SMN2ALDH1A1HTTLMNARAB9A | |
| SCHEMBL29128667 | 0.78 | LMNA (0.50) | SMN1; SMN2ALDH1A1HTTLMNARAB9A | |
| SCHEMBL19538026 | 0.76 | NPC1 (0.56) | SMN1; SMN2ALDH1A1LMNARAB9ANPC1 | |
| SCHEMBL28851446 | 0.75 | SMN1; SMN2 (0.65) | SMN1; SMN2ALDH1A1HTTLMNARAB9A | |
| SCHEMBL30071315 | 0.75 | ADORA3 (0.48) | SMN1; SMN2ALDH1A1HTTLMNARAB9A | |
| SCHEMBL19150948 | 0.75 | ADORA3 (0.48) | SMN1; SMN2ALDH1A1HTTLMNARAB9A | |
| SCHEMBL19538015 | 0.74 | ABL1 (0.45) | ALDH1A1IDH2KDM4EPPIATSHR | |
| SCHEMBL6099610 | 0.74 | GAA (0.62) | SMN1; SMN2HTTLMNARAB9ANPC1 |
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-117263873-A | 1, 4-benzodiazepine compounds and application thereof in preparation of antitumor drugs | 复旦大学 | 2023-12-22 | — | — | CN | disclosed |