Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.51 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CPA1 | P15085 | 3/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | CPB1 | P15086 | 1/20 | 0.40 |
| ▸ | CPA3 | P15088 | 1/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.40 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALPG | P10696 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL28470961 | 0.81 | MMP12 (0.51) | TRPA1TRPV1POLB | |
| SCHEMBL1833635 | 0.78 | TRPA1 (0.55) | TRPA1TRPV1CYP1A2EPHX1SRR | |
| SCHEMBL4453375 | 0.77 | TRPA1 (0.57) | TRPA1TRPV1CYP1A2CPA1EPHX1 | |
| Ammonia Solution, Strong SCHEMBL29021310 | 0.75 | TRPA1 (0.53) | TRPA1TRPV1CYP1A2EPHX1SRR | |
| SCHEMBL7575673 | 0.75 | TRPA1 (0.76) | TRPA1TRPV1CYP1A2CPA1EPHX1 | |
| SCHEMBL10535065 | 0.75 | TRPA1 (0.65) | TRPA1TRPV1CYP1A2CPA1EPHX1 | |
| SCHEMBL6138407 | 0.75 | TRPA1 (0.65) | TRPA1TRPV1CYP1A2CPA1EPHX1 | |
| SCHEMBL1861755 | 0.75 | TRPA1 (0.65) | TRPA1TRPV1CYP1A2CPA1EPHX1 | |
| SCHEMBL10719373 | 0.75 | TRPA1 (0.55) | TRPA1TRPV1CYP1A2CPA1EPHX1 | |
| SCHEMBL5712929 | 0.74 | TRPA1 (0.48) | TRPA1TRPV1CYP1A2CPA1EPHX1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5523495-A | REACTING KETONE OR ALDEHYDE WITH A DIHALOPROPENE IN PRESENCE OF ZINC POWDER, WATER AND ACID YIELDS A HALOALLYLCARBINOL WHICH CAN BE DEHALOGENATED WITH A BASE, NONEXPLOSIVE | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1996-06-04 | — | — | US | disclosed |
| EP-0404077-B1 | Process for producing propargylcarbinol compounds | SUMITOMO CHEMICAL CO (JP) | 1994-06-01 | — | — | EP | disclosed |
| US-5258529-A | Dehydrohalogenation of corresponding alkene | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-11-02 | — | — | US | disclosed |
| EP-0404077-A1 | Process for producing propargylcarbinol compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-12-27 | — | — | EP | disclosed |