Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL7573374 | 1.00 | CHRM5 (0.41) | CHRM5CYP2D6KCNH2GRIN1GRIN2B | |
| SCHEMBL7571671 | 0.93 | CHRM5 (0.50) | CHRM5CYP2D6KCNH2GRIN1GRIN2B | |
| SCHEMBL7571676 | 0.93 | CHRM5 (0.50) | CHRM5CYP2D6KCNH2GRIN1GRIN2B | |
| SCHEMBL7574454 | 0.91 | CYP2D6 (0.40) | CHRM5CYP2D6KCNH2GRIN1GRIN2B | |
| SCHEMBL7574457 | 0.91 | CYP2D6 (0.40) | CHRM5CYP2D6KCNH2GRIN1GRIN2B | |
| SCHEMBL7578987 | 0.91 | CHRM5 (0.49) | CHRM5CYP2D6GRIN1GRIN2BLMNA | |
| SCHEMBL7578981 | 0.91 | CHRM5 (0.49) | CHRM5CYP2D6GRIN1GRIN2BLMNA | |
| SCHEMBL7571250 | 0.84 | CYP1A2 (0.45) | LMNACYP2C9MEN1CYP1A2MAPT | |
| SCHEMBL7571246 | 0.84 | CYP1A2 (0.45) | LMNACYP2C9MEN1CYP1A2MAPT | |
| SCHEMBL7579055 | 0.83 | G6PC1 (0.43) | GRIN1GRIN2BLMNANPC1RAB9A |
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 |