Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.47 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.47 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | VCP | P55072 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2686081 | 0.93 | VCP (0.46) | CACNA2D1CACNB2CACNA1CTSHRHSD17B2 | |
| SCHEMBL2801832 | 0.86 | TSHR (0.52) | CACNA2D1CACNB2CACNA1CTSHRIDO1 | |
| SCHEMBL2519799 | 0.86 | TSHR (0.52) | CACNA2D1CACNB2CACNA1CTSHRIDO1 | |
| SCHEMBL20865650 | 0.82 | ACHE (0.45) | HSD17B2ALDH1A1KMT2AMEN1POLB | |
| SCHEMBL17845069 | 0.82 | APP (0.48) | CACNA2D1CACNB2CACNA1CTSHRHSD17B2 | |
| SCHEMBL11213850 | 0.81 | TSHR (0.53) | CACNA2D1CACNB2CACNA1CTSHRALDH1A1 | |
| SCHEMBL29288285 | 0.81 | TSHR (0.44) | CACNA2D1CACNB2CACNA1CTSHRHSD17B2 | |
| SCHEMBL2683355 | 0.81 | TSHR (0.44) | CACNA2D1CACNB2CACNA1CTSHRIDO1 | |
| SCHEMBL28362187 | 0.81 | TSHR (0.44) | CACNA2D1CACNB2CACNA1CTSHRIDO1 | |
| SCHEMBL23572596 | 0.81 | APP (0.49) | CACNA2D1CACNB2CACNA1CALDH1A1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110627626-B | Preparation method of propargyl acetone compound | 内蒙古大学 | 2022-04-26 | — | — | CN | disclosed |
| CN-110627626-A | Preparation method of propargyl acetone compound | 内蒙古大学 | 2019-12-31 | — | — | CN | disclosed |
| EP-1248778-A1 | SUBSTITUTED PHOTOCHROMIC 2H-NAPHTHO 1,2-B] PYRAN COMPOUNDS | PPG Industries Ohio Inc. (US) | 2002-10-16 | — | — | EP | disclosed |
| WO-2001051483-A1 | SUBSTITUTED PHOTOCHROMIC 2H-NAPHTHO [1,2-B] PYRAN COMPOUNDS | PPG INDUSTRIES OHIO, INC. (US) | 2001-07-19 | — | — | WO | disclosed |
| EP-0628064-A4 | PHOTOCHROMIC NAPHTHOPYRANS. | PPG INDUSTRIES INC (US) | 1995-02-08 | — | — | EP | disclosed |