Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.63 |
| ▸ | GAA | P10253 | 5/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.63 |
| ▸ | GRM5 | P41594 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2578961 | 0.87 | ALDH1A1 (0.71) | ALDH1A1GAAMAPTHPGDAGTR1 | |
| SCHEMBL29128702 | 0.83 | FFAR2 (0.44) | ALDH1A1GAAMAPTHPGDAGTR1 | |
| SCHEMBL25403743 | 0.83 | RAB9A (0.60) | ALDH1A1GAAMAPTHPGDAGTR1 | |
| SCHEMBL29128671 | 0.80 | CLK4 (0.53) | — | |
| SCHEMBL11397622 | 0.78 | ALDH1A1 (1.00) | ALDH1A1GAAMAPTHPGDAGTR1 | |
| SCHEMBL6099610 | 0.76 | GAA (0.62) | GAAMEN1KMT2ALMNARAB9A | |
| SCHEMBL1514097 | 0.74 | GRM5 (0.58) | ALDH1A1GAAMAPTHPGDAGTR1 | |
| SCHEMBL25403220 | 0.73 | ALDH1A1 (0.69) | ALDH1A1GAAMAPTHPGDAGTR1 | |
| SCHEMBL421678 | 0.73 | ALDH1A1 (0.69) | ALDH1A1GAAMAPTHPGDAGTR1 | |
| SCHEMBL6833382 | 0.72 | GRM5 (0.53) | ALDH1A1GAAMAPTHPGDAGTR1 |
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 |