Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.46 |
| ▸ | DHODH | Q02127 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31541181 | 0.80 | ALDH1A1 (0.62) | ALDH1A1L3MBTL1KDM4EGRIN2DGRIN3B | |
| SCHEMBL3444466 | 0.77 | LMNA (0.46) | L3MBTL1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL13107935 | 0.77 | LMNA (0.46) | L3MBTL1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL3444467 | 0.77 | LMNA (0.46) | L3MBTL1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL6893957 | 0.75 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1KDM4EGRIN2DGRIN3B | |
| SCHEMBL20115842 | 0.74 | ALDH1A1 (0.35) | ALDH1A1KDM4ELMNAKMT2AMAPT | |
| SCHEMBL20115815 | 0.74 | POLB (0.55) | ALDH1A1L3MBTL1KDM4ELMNAMEN1 | |
| SCHEMBL14346251 | 0.74 | SMN1; SMN2 (0.58) | ALDH1A1L3MBTL1KDM4EGRIN2DGRIN3B | |
| SCHEMBL2442606 | 0.74 | ALDH1A1 (1.00) | ALDH1A1L3MBTL1KDM4EGRIN2DGRIN3B | |
| SCHEMBL2442610 | 0.74 | ALDH1A1 (1.00) | ALDH1A1L3MBTL1KDM4EGRIN2DGRIN3B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0810199-B1 | Method for producing propargylamine compounds | SUMITOMO CHEMICAL CO (JP) | 2002-09-25 | — | — | EP | disclosed |
| US-5756769-A | Method for producing propargylamine compounds | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1998-05-26 | — | — | US | disclosed |
| EP-0810199-A1 | Method for producing propargylamine compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-12-03 | — | — | EP | disclosed |