Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | CYSLTR2 | Q9NS75 | 3/20 | 0.39 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | TPMT | P51580 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9635481 | 0.92 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19NR1H4EPHX2 | |
| SCHEMBL15903926 | 0.71 | ABCC9 (0.58) | CYP1A2CYP2C9CYP2C19CA12CA1 | |
| SCHEMBL29440834 | 0.71 | ABCC9 (0.58) | CYP1A2CYP2C9CYP2C19CA12CA1 | |
| SCHEMBL11536864 | 0.67 | CYP1A2 (0.73) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19921249 | 0.66 | CA12 (0.57) | CA12CA1CA2CA4CA6 | |
| SCHEMBL4440336 | 0.66 | CYP1A2 (1.00) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2784039 | 0.64 | CA12 (0.62) | CA12CA1CA2CA4CA6 | |
| SCHEMBL30143532 | 0.64 | CA12 (0.62) | CA12CA1CA2CA4CA6 | |
| SCHEMBL6859656 | 0.64 | CA12 (0.67) | CA12CA1CA2CA4CA6 | |
| SCHEMBL2592749 | 0.64 | CA12 (0.67) | CA12CA1CA2CA4CA6 |
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-0337765-B1 | ACYLSULFONAMIDE DERIVATIVES OF ALPHA-CARBOCYCLYLTOLUIC ACIDS USED AS LEUKOTRIENE ANTAGONISTS | ICI AMERICAS INC. (US) | 1992-10-14 | — | — | EP | disclosed |
| US-5095038-A | Antiinflammatory, antiallergens | ICI AMERICAS INC. (US) | 1992-03-10 | — | — | US | disclosed |
| EP-0337765-A2 | Acylsulfonamide derivatives of alpha-carbocyclyltoluic acids used as leukotriene antagonists | ICI AMERICAS INC. (US) | 1989-10-18 | — | — | EP | disclosed |