Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.47 |
| ▸ | CDC25B | P30305 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9152066 | 0.83 | TSHR (0.52) | TSHRCYP4F2CYP4A11ALDH1A1HSD17B10 | |
| SCHEMBL6682038 | 0.82 | CA12 (0.54) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL28974979 | 0.82 | TSHR (0.74) | TSHRCDC25BALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL6895558 | 0.82 | LMNA (0.51) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL9151181 | 0.81 | CYP4F2 (0.52) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL9150065 | 0.80 | TSHR (0.44) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL6808531 | 0.79 | TSHR (0.54) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL9073220 | 0.79 | LTB4R (0.56) | TSHRALDH1A1HSD17B10CNR1CNR2 | |
| Ethyl Salicylate SCHEMBL9070300 | 0.77 | TSHR (0.71) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL4397331 | 0.76 | TSHR (0.65) | TSHRCDC25BALDH1A1CYP1A2CYP2C9 |
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-0442748-B1 | Improvements in and relating to leukotriene antagonists | LILLY CO ELI (US) | 1995-01-11 | — | — | EP | disclosed |
| EP-0442748-A1 | Improvements in and relating to leukotriene antagonists | ELI LILLY AND COMPANY (US) | 1991-08-21 | — | — | EP | disclosed |
| US-4996230-A | Antiallergens, antiinflammatory agent | ELI LILLY AND COMPANY (US) | 1991-02-26 | — | — | US | disclosed |