Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | CDK4 | P11802 | 2/20 | 0.37 |
| ▸ | CCND1 | P24385 | 2/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 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 | |
|---|---|---|---|---|
| SCHEMBL28501102 | 0.83 | NPC1 (0.41) | RAB9ANPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL1200712 | 0.82 | SMN1; SMN2 (0.50) | RAB9ANPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL1539563 | 0.82 | NPSR1 (0.55) | RAB9ANPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL1539438 | 0.81 | CDK4 (0.44) | RAB9ANPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL2293283 | 0.80 | ALDH1A1 (0.46) | SMN1; SMN2ALDH1A1HPGDHTTKMT2A | |
| SCHEMBL28510306 | 0.80 | MAOB (0.54) | RAB9ANPC1MAOBMAOACDK4 | |
| SCHEMBL28503323 | 0.79 | ALDH1A1 (0.49) | SMN1; SMN2ALDH1A1HPGDHTTKMT2A | |
| Ethylene SCHEMBL1539486 | 0.78 | CDK4 (0.43) | RAB9ANPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL28790470 | 0.77 | RAB9A (0.38) | RAB9ANPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL5322086 | 0.77 | NR4A2 (0.45) | RAB9ANPC1SMN1; SMN2ALDH1A1HPGD |
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-107522654-B | Novel alpha-aminoamide derivatives and medicinal use thereof | 中国人民解放军军事医学科学院毒物药物研究所 | 2020-09-01 | — | — | CN | disclosed |