Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 5/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL29691338 | 1.00 | HTT (0.49) | HTTMAPTGAATP53MAPK1 | |
| SCHEMBL2228032 | 0.85 | HTT (0.67) | HTTMAPTGAATHRBLMNA | |
| SCHEMBL9654816 | 0.83 | MAPT (0.49) | HTTMAPTGAATP53MAPK1 | |
| SCHEMBL6834041 | 0.83 | HTT (0.42) | HTTMAPTGAATP53MAPK1 | |
| SCHEMBL6840595 | 0.83 | HTT (0.46) | HTTMAPTGAAMAPK1HSD17B10 | |
| SCHEMBL11170519 | 0.82 | MAPT (0.67) | HTTMAPTGAATP53MAPK1 | |
| SCHEMBL28155279 | 0.81 | HTT (0.45) | HTTMAPTGAAMAPK1THRB | |
| SCHEMBL11281008 | 0.79 | HTT (0.53) | HTTMAPTGAAMAPK1THRB | |
| SCHEMBL10453654 | 0.79 | MAPT (0.56) | HTTMAPTGAATP53MAPK1 | |
| SCHEMBL11248471 | 0.78 | GAA (0.46) | HTTMAPTGAAHSD17B10THRB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114591200-A | Preparation method of dicyanoethyl tertiary amine | 万华化学集团股份有限公司 | 2022-06-07 | — | — | CN | claimed |
| CN-114591200-A | Preparation method of dicyanoethyl tertiary amine | 万华化学集团股份有限公司 | 2022-06-07 | — | — | CN | disclosed |
| US-4115413-A | ACID FREE | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-19 | — | — | US | disclosed |
| US-4031186-A | ANTISECRETORY AGENTS | ROHM AND HAAS COMPANY (US) | 1977-06-21 | — | — | US | disclosed |