Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7579599 | 1.00 | TRPA1 (0.45) | TRPA1G6PC1APPNPC1RAB9A | |
| SCHEMBL7572532 | 0.86 | MAOB (0.39) | APPNPC1RAB9APOLBALDH1A1 | |
| SCHEMBL7572529 | 0.86 | MAOB (0.39) | APPNPC1RAB9APOLBALDH1A1 | |
| SCHEMBL7571246 | 0.84 | CYP1A2 (0.45) | G6PC1APPPOLBALDH1A1MAPT | |
| SCHEMBL7571250 | 0.84 | CYP1A2 (0.45) | G6PC1APPPOLBALDH1A1MAPT | |
| SCHEMBL7573177 | 0.84 | RELA (0.51) | NPC1RAB9AMAPTKCNH2GAA | |
| SCHEMBL7573181 | 0.84 | RELA (0.51) | NPC1RAB9AMAPTKCNH2GAA | |
| SCHEMBL7581846 | 0.83 | MAPT (0.47) | NPC1RAB9APOLBALDH1A1MAPT | |
| SCHEMBL7581838 | 0.83 | MAPT (0.47) | NPC1RAB9APOLBALDH1A1MAPT | |
| SCHEMBL7574544 | 0.81 | NFE2L2 (0.47) | APPPOLBALDH1A1MAPTKCNH2 |
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 |