Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | CTSH | P09668 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9714816 | 0.87 | SLC6A2 (0.34) | CYP3A4TDP1MAOBTAAR1SLC6A4 | |
| SCHEMBL9714829 | 0.85 | CYP3A4 (0.34) | CYP3A4TDP1TSHRCTSC | |
| SCHEMBL9714707 | 0.82 | CYP3A4 (0.34) | CYP3A4TDP1MAOBCYP2D6CYP1A2 | |
| SCHEMBL9714774 | 0.82 | CYP3A4 (0.36) | CYP3A4TDP1TSHRTRPA1ESR1 | |
| SCHEMBL9714791 | 0.80 | LTA4H (0.36) | TDP1MAOBSIGMAR1 | |
| SCHEMBL14452762 | 0.78 | SIGMAR1 (0.52) | CYP3A4TDP1MAOBCYP2D6TAAR1 | |
| SCHEMBL1752148 | 0.78 | SIGMAR1 (0.52) | CYP3A4TDP1MAOBCYP2D6TAAR1 | |
| SCHEMBL13593628 | 0.78 | SIGMAR1 (0.52) | CYP3A4TDP1MAOBCYP2D6TAAR1 | |
| SCHEMBL9714601 | 0.77 | ESR2 (0.36) | CYP3A4TDP1CYP1A2ESR1ESR2 | |
| SCHEMBL9714646 | 0.76 | MEN1 (0.35) | CYP3A4TDP1TSHRCTSC |
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-5166210-A | QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1992-11-24 | — | — | US | disclosed |
| US-5028615-A | Treatment of hypersensitivity | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1991-07-02 | — | — | US | disclosed |
| US-4920133-A | Quinoline derivatives and use thereof as antagonists of leukotriene D4 | RORER PHARMACEUTICAL CORP. (US) | 1990-04-24 | — | — | US | disclosed |