Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | LMNA | P02545 | 7/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL28892922 | 1.00 | ALDH1A1 (0.43) | ALDH1A1LMNAMAPTPOLBHPGD | |
| SCHEMBL28892388 | 0.89 | ALDH1A1 (0.46) | ALDH1A1LMNAMAPTPOLBHPGD | |
| SCHEMBL28892567 | 0.84 | KMT2A (0.41) | ALDH1A1LMNAMAPTPOLBHPGD | |
| SCHEMBL30002050 | 0.84 | KMT2A (0.41) | ALDH1A1LMNAMAPTPOLBHPGD | |
| SCHEMBL28892294 | 0.83 | ALDH1A1 (0.52) | ALDH1A1LMNAMAPTPOLBHPGD | |
| SCHEMBL30001950 | 0.83 | ALDH1A1 (0.52) | ALDH1A1LMNAMAPTPOLBHPGD | |
| SCHEMBL28892172 | 0.82 | ALDH1A1 (0.49) | ALDH1A1LMNAMAPTPOLBHPGD | |
| SCHEMBL30002638 | 0.82 | NSD2 (0.41) | ALDH1A1LMNAMAPTHSP90AA1HSP90AB1 | |
| SCHEMBL28892621 | 0.82 | NSD2 (0.41) | ALDH1A1LMNAMAPTHSP90AA1HSP90AB1 | |
| SCHEMBL28892139 | 0.81 | LMNA (0.44) | LMNAMAPTPOLBL3MBTL1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |