Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.72 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.72 |
| ▸ | TRPM8 | Q7Z2W7 | 5/20 | 0.66 |
| ▸ | RAB9A | P51151 | 4/20 | 0.60 |
| ▸ | APP | P05067 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.55 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | MAOB | P27338 | 3/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | FOS | P01100 | 1/20 | 0.50 |
| ▸ | JUN | P05412 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31228704 | 0.86 | NPC1 (0.72) | NPC1L3MBTL1TRPM8APPLTB4R | |
| SCHEMBL31228779 | 0.86 | NPC1 (0.72) | NPC1L3MBTL1TRPM8APPLTB4R | |
| SCHEMBL20777300 | 0.85 | TRPM8 (0.55) | NPC1L3MBTL1TRPM8RAB9AAPP | |
| SCHEMBL22074377 | 0.85 | TRPM8 (0.55) | NPC1L3MBTL1TRPM8RAB9AAPP | |
| SCHEMBL22187006 | 0.85 | TRPM8 (0.55) | NPC1L3MBTL1TRPM8RAB9AAPP | |
| SCHEMBL7245706 | 0.84 | L3MBTL1 (0.70) | NPC1L3MBTL1TRPM8RAB9AAPP | |
| SCHEMBL28514351 | 0.84 | NPC1 (0.70) | NPC1L3MBTL1TRPM8RAB9AAPP | |
| SCHEMBL7245709 | 0.84 | L3MBTL1 (0.70) | NPC1L3MBTL1TRPM8RAB9AAPP | |
| SCHEMBL28887174 | 0.84 | NPC1 (0.70) | NPC1L3MBTL1TRPM8RAB9ALTB4R | |
| SCHEMBL31490409 | 0.84 | TRPM8 (0.54) | NPC1L3MBTL1TRPM8RAB9AAPP |
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-112142617-B | Method for synthesizing alpha, beta-unsaturated alkynylamide compound by oxidative carbonylation | 中国科学院兰州化学物理研究所 | 2021-10-26 | — | — | CN | disclosed |
| CN-112142617-A | Method for synthesizing alpha, beta-unsaturated alkynylamide compound by oxidative carbonylation | 中国科学院兰州化学物理研究所 | 2020-12-29 | — | — | CN | disclosed |