Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30443406 | 0.86 | ALDH1A1 (0.54) | ALDH1A1POLBHPGDHSD11B1SMN1; SMN2 | |
| SCHEMBL11456775 | 0.78 | ALDH1A1 (0.46) | ALDH1A1POLBHPGDHSD11B1SMN1; SMN2 | |
| SCHEMBL6697255 | 0.77 | ALDH1A1 (0.50) | ALDH1A1POLBHPGDHSD11B1SMN1; SMN2 | |
| SCHEMBL31097177 | 0.75 | ALDH1A1 (0.67) | ALDH1A1POLBHPGDHSD11B1SMN1; SMN2 | |
| SCHEMBL1421402 | 0.74 | KMT2A (0.54) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL29437665 | 0.74 | CA2 (0.65) | ALDH1A1POLBHPGDHSD11B1SMN1; SMN2 | |
| SCHEMBL30491261 | 0.74 | HPGD (0.54) | ALDH1A1HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL6062561 | 0.73 | ALDH1A1 (0.47) | ALDH1A1POLBHPGDHSD11B1SMN1; SMN2 | |
| SCHEMBL31334639 | 0.73 | — | — | |
| SCHEMBL31661884 | 0.71 | TP53 (0.56) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A |
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-115667264-A | Novel imidazo-pyrazine derivatives | 豪夫迈·罗氏有限公司 | 2023-01-31 | — | — | CN | disclosed |