Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 2/20 | 0.66 |
| ▸ | PPARD | Q03181 | 2/20 | 0.66 |
| ▸ | PPARA | Q07869 | 2/20 | 0.66 |
| ▸ | LMNA | P02545 | 2/20 | 0.66 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.66 |
| ▸ | BLM | P54132 | 1/20 | 0.66 |
| ▸ | CYSLTR2 | Q9NS75 | 16/20 | 0.62 |
| ▸ | CYSLTR1 | Q9Y271 | 16/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Thiocyanic Acid SCHEMBL10690703 | 0.96 | GRM2 (0.65) | PPARGPPARDPPARALMNAGRM2 | |
| Thiocyanic Acid SCHEMBL10690775 | 0.95 | CYSLTR2 (0.64) | PPARGPPARDPPARALMNAGRM2 | |
| Thiocyanic Acid SCHEMBL10692149 | 0.95 | CYSLTR2 (0.64) | PPARGPPARDPPARALMNAGRM2 | |
| Thiocyanic Acid SCHEMBL10691476 | 0.95 | CYSLTR2 (0.64) | PPARGPPARDPPARALMNAGRM2 | |
| Thiocyanic Acid SCHEMBL10687792 | 0.94 | PPARG (0.61) | PPARGPPARDPPARALMNAGRM2 | |
| SCHEMBL6247680 | 0.92 | PPARG (0.75) | PPARGPPARDPPARALMNAGRM2 | |
| Bicarbonate SCHEMBL10790750 | 0.90 | PPARG (0.76) | PPARGPPARDPPARALMNAGRM2 | |
| SCHEMBL10702435 | 0.88 | GRM2 (0.73) | PPARGPPARDPPARALMNAGRM2 | |
| SCHEMBL10692228 | 0.88 | PPARG (0.63) | PPARGPPARDPPARALMNAGRM2 | |
| SCHEMBL10522351 | 0.87 | CYSLTR2 (0.72) | PPARGPPARDPPARALMNAGRM2 |
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-4769482-A | Cyano and thiocyano intermediates | ELI LILLY AND COMPANY (US) | 1988-09-06 | — | — | US | disclosed |
| EP-0108592-B1 | LEUKOTRIENE ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1987-09-30 | — | — | EP | disclosed |
| US-4661505-A | 4-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY) ALKANOIC ACIDS, TETRAZOLES, AND DERIVATIVES | ELI LILLY AND COMPANY (US) | 1987-04-28 | — | — | US | disclosed |
| EP-0108592-A1 | Leukotriene antagonists | ELI LILLY AND COMPANY (US) | 1984-05-16 | — | — | EP | disclosed |