Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR2 | O15552 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GBA1 | P04062 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 3/20 | 0.39 |
| ▸ | IDH2 | P48735 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 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 | |
|---|---|---|---|---|
| SCHEMBL29128740 | 0.83 | ALDH1A1 (0.63) | ALDH1A1GAAMAPTHPGDAGTR1 | |
| SCHEMBL29128671 | 0.81 | CLK4 (0.53) | CDK5DYRK1A | |
| SCHEMBL6099610 | 0.75 | GAA (0.62) | GAARAB9AMEN1KMT2ANPC1 | |
| SCHEMBL30071274 | 0.74 | SMN1; SMN2 (0.51) | FFAR2GAAHPGDRAB9AMEN1 | |
| SCHEMBL3631785 | 0.73 | MEN1 (0.50) | FFAR2HPGDRAB9AMEN1KMT2A | |
| SCHEMBL5630272 | 0.72 | KDM4E (0.61) | FFAR2HPGDRAB9AMEN1KMT2A | |
| SCHEMBL5630269 | 0.72 | FFAR2 (0.51) | FFAR2HPGDRAB9AMEN1KMT2A | |
| SCHEMBL29128631 | 0.71 | KMT2A (0.63) | GAAMAPTHPGDRAB9AMEN1 | |
| SCHEMBL28851446 | 0.70 | SMN1; SMN2 (0.65) | ALDH1A1GAAMAPTRAB9AMEN1 | |
| SCHEMBL30008066 | 0.70 | SMN1; SMN2 (0.51) | FFAR2ALDH1A1GAAHPGDRAB9A |
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 |