Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL7573177 | 1.00 | RELA (0.51) | RELAMAPTNFE2L2TP53CHRM5 | |
| SCHEMBL7573409 | 0.86 | CHRM5 (0.45) | MAPTCHRM5GAAKCNH2NPC1 | |
| SCHEMBL7573410 | 0.86 | CHRM5 (0.45) | MAPTCHRM5GAAKCNH2NPC1 | |
| SCHEMBL7572532 | 0.84 | MAOB (0.39) | RELAMAPTNFE2L2TP53AHR | |
| SCHEMBL7572529 | 0.84 | MAOB (0.39) | RELAMAPTNFE2L2TP53AHR | |
| SCHEMBL7579606 | 0.84 | TRPA1 (0.45) | MAPTGAAKCNH2NPC1RAB9A | |
| SCHEMBL7578987 | 0.84 | CHRM5 (0.49) | MAPTCHRM5GAANPC1RAB9A | |
| SCHEMBL7578981 | 0.84 | CHRM5 (0.49) | MAPTCHRM5GAANPC1RAB9A | |
| SCHEMBL7579599 | 0.84 | TRPA1 (0.45) | MAPTGAAKCNH2NPC1RAB9A | |
| SCHEMBL7571671 | 0.83 | CHRM5 (0.50) | MAPTCHRM5GAAKCNH2NPC1 |
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 |