Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.60 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7579172 | 0.83 | CHRM5 (0.58) | CHRM5TAAR1G6PC1CYP1A2CYP3A4 | |
| SCHEMBL7579180 | 0.83 | CHRM5 (0.58) | CHRM5TAAR1G6PC1CYP1A2CYP3A4 | |
| SCHEMBL4892909 | 0.82 | CHRM5 (0.70) | CHRM5TAAR1G6PC1CYP1A2CYP3A4 | |
| SCHEMBL4892903 | 0.82 | CHRM5 (0.70) | CHRM5TAAR1G6PC1CYP1A2CYP3A4 | |
| SCHEMBL7581530 | 0.80 | MAPT (0.46) | G6PC1CYP1A2CYP3A4RELARAB9A | |
| SCHEMBL7572620 | 0.79 | NPC1 (0.56) | CYP1A2TDP1RELANPC1RAB9A | |
| SCHEMBL2121152 | 0.76 | CHRM5 (0.72) | CHRM5TAAR1G6PC1CYP1A2CYP3A4 | |
| SCHEMBL2121150 | 0.76 | CHRM5 (0.72) | CHRM5TAAR1G6PC1CYP1A2CYP3A4 | |
| SCHEMBL2448307 | 0.76 | CHRM5 (0.72) | CHRM5TAAR1G6PC1CYP1A2CYP3A4 | |
| SCHEMBL6261044 | 0.76 | CHRM5 (0.72) | CHRM5TAAR1G6PC1CYP1A2CYP3A4 |
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 |