Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.69 |
| ▸ | TRPM8 | Q7Z2W7 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 2/20 | 0.51 |
| ▸ | APP | P05067 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.47 |
| ▸ | LTB4R2 | Q9NPC1 | 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 | |
|---|---|---|---|---|
| SCHEMBL2721605 | 0.84 | TRPM8 (0.77) | NPC1L3MBTL1TRPM8 | |
| SCHEMBL30582817 | 0.84 | TRPM8 (0.77) | NPC1L3MBTL1TRPM8 | |
| SCHEMBL2721610 | 0.84 | TRPM8 (0.77) | NPC1L3MBTL1TRPM8 | |
| SCHEMBL28379022 | 0.83 | NPC1 (0.67) | NPC1L3MBTL1TRPM8ALDH1A1HTT | |
| SCHEMBL28377653 | 0.82 | MAOA (0.55) | NPC1TRPM8ALDH1A1TDP1MAOA | |
| N,N-Diethylcinnamamide SCHEMBL23550023 | 0.82 | NPC1 (1.00) | NPC1L3MBTL1TRPM8ALDH1A1TDP1 | |
| N,N-Diethylcinnamamide SCHEMBL4956226 | 0.82 | NPC1 (1.00) | NPC1L3MBTL1TRPM8ALDH1A1TDP1 | |
| N,N-Diethylcinnamamide SCHEMBL4956221 | 0.82 | NPC1 (1.00) | NPC1L3MBTL1TRPM8ALDH1A1TDP1 | |
| SCHEMBL14205237 | 0.80 | MAOA (0.56) | NPC1ALDH1A1TDP1MAOAMAOB | |
| SCHEMBL28501196 | 0.80 | NPC1 (0.72) | NPC1L3MBTL1TRPM8ALDH1A1HPGD |
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 |