Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
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 | 0.81 | KMT2A (0.55) | TSHRL3MBTL1NPSR1HTTPOLB | |
| SCHEMBL6203964 | 0.81 | KMT2A (0.55) | TSHRL3MBTL1NPSR1HTTPOLB | |
| SCHEMBL31326024 | 0.81 | TSHR (0.46) | TSHRL3MBTL1NPSR1HTTPOLB | |
| SCHEMBL31326025 | 0.78 | TSHR (0.53) | TSHRL3MBTL1NPSR1GSK3BPTPN1 | |
| SCHEMBL1754734 | 0.78 | TSHR (0.53) | TSHRL3MBTL1NPSR1GSK3BPTPN1 | |
| SCHEMBL27973201 | 0.78 | KMT2A (0.50) | TSHRL3MBTL1NPSR1GSK3BPTPN1 | |
| SCHEMBL28986878 | 0.78 | L3MBTL1 (0.50) | TSHRL3MBTL1NPSR1HTTPOLB | |
| SCHEMBL29110169 | 0.76 | KMT2A (0.49) | TSHRL3MBTL1NPSR1HTTPOLB | |
| SCHEMBL6223072 | 0.75 | ALDH1A1 (0.48) | TSHRL3MBTL1NPSR1GSK3BKMT2A | |
| SCHEMBL194154 | 0.74 | TSHR (0.57) | TSHRL3MBTL1NPSR1HTTPOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-11661661-B2 | Method for synthesizing beta-cyano ketone compound | CHANGZHOU INSTITUTE OF TECHNOLOGY (CN) | 2023-05-30 | — | — | US | disclosed |
| US-11661661-B2 | Method for synthesizing beta-cyano ketone compound | CHANGZHOU INSTITUTE OF TECHNOLOGY (CN) | 2023-05-30 | — | — | US | disclosed |