Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 11/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7580238 | 1.00 | KCNH2 (0.39) | KCNH2ALDH1A1KMT2AADORA2AADORA1 | |
| SCHEMBL7579047 | 0.98 | ALDH1A1 (0.39) | KCNH2ALDH1A1KMT2AADORA2AADORA1 | |
| SCHEMBL7579039 | 0.98 | ALDH1A1 (0.39) | KCNH2ALDH1A1KMT2AADORA2AADORA1 | |
| SCHEMBL7579643 | 0.94 | ALDH1A1 (0.39) | KCNH2ALDH1A1KMT2AADORA2AADORA1 | |
| SCHEMBL7579639 | 0.94 | ALDH1A1 (0.39) | KCNH2ALDH1A1KMT2AADORA2AADORA1 | |
| SCHEMBL7580433 | 0.88 | MAOB (0.40) | KCNH2ALDH1A1KMT2AADORA2AADORA1 | |
| SCHEMBL7580429 | 0.88 | MAOB (0.40) | KCNH2ALDH1A1KMT2AADORA2AADORA1 | |
| SCHEMBL7575466 | 0.85 | CYP3A4 (0.40) | KCNH2ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL7575470 | 0.85 | CYP3A4 (0.40) | KCNH2ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL7572947 | 0.83 | CHRM5 (0.44) | KCNH2ALDH1A1KMT2AMEN1MAPT |
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 |