Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | MGAM | O43451 | 2/20 | 0.44 |
| ▸ | SI | P14410 | 2/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29624430 | 1.00 | KMT2A (0.55) | KMT2AMEN1TSHRHTTNPSR1 | |
| SCHEMBL21632173 | 0.87 | MEN1 (0.43) | KMT2AMEN1ALDH1A1 | |
| SCHEMBL25525520 | 0.81 | TSHR (0.46) | KMT2AMEN1TSHRHTTNPSR1 | |
| SCHEMBL31326024 | 0.81 | TSHR (0.46) | KMT2AMEN1TSHRHTTNPSR1 | |
| SCHEMBL21631932 | 0.79 | CCR1 (0.44) | KMT2AMEN1TSHRPOLBGAA | |
| SCHEMBL28417165 | 0.79 | CCR1 (0.44) | KMT2AMEN1TSHRPOLBGAA | |
| SCHEMBL10922889 | 0.79 | CCR1 (0.40) | KMT2AMEN1HTTMAPTLMNA | |
| SCHEMBL31326025 | 0.78 | TSHR (0.53) | KMT2AMEN1TSHRNPSR1L3MBTL1 | |
| SCHEMBL1754734 | 0.78 | TSHR (0.53) | KMT2AMEN1TSHRNPSR1L3MBTL1 | |
| SCHEMBL6203114 | 0.78 | KMT2A (0.50) | KMT2AMEN1TSHRL3MBTL1POLB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114456086-A | Synthesis method of beta-cyano ketone | 哈尔滨理工大学 | 2022-05-10 | — | — | CN | disclosed |
| CN-104030870-B | A kind of preparation method of beta-cyano ketone | NORTHWEST NORMAL UNIVERSITY (CN) | 2015-10-28 | — | — | CN | disclosed |
| CN-104030870-A | Method for preparing beta-cyan ketone | UNIV NORTHWEST NORMAL | 2014-09-10 | — | — | CN | disclosed |
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |