Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.58 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30934 | 0.78 | TRPA1 (0.77) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4785594 | 0.78 | SIGMAR1 (0.64) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL2571645 | 0.78 | SIGMAR1 (0.64) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL57393 | 0.78 | SIGMAR1 (0.64) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL7493657 | 0.78 | SIGMAR1 (0.64) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL11736259 | 0.77 | TAAR1 (0.56) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1140503 | 0.76 | TRPA1 (0.74) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL11468970 | 0.76 | TAAR1 (0.61) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Water SCHEMBL3896311 | 0.76 | TRPA1 (0.74) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL6891614 | 0.76 | SIGMAR1 (0.61) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5025005-A | Preventive or therapeutic agents for circulatory diseases, allergic disorders; antineoplastic agent; inhibitor for platelet activating factor | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-06-18 | — | — | US | disclosed |
| US-4737518-A | ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-04-12 | — | — | US | disclosed |
| EP-0157609-A2 | Lipid derivatives their production and use | Takeda Chemical Industries, Ltd. (JP) | 1985-10-09 | — | — | EP | disclosed |