Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CTSC | P53634 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CTSH | P09668 | 1/20 | 0.34 |
| ▸ | MME | P08473 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
| ▸ | CPA1 | P15085 | 1/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL9714785 | 0.88 | CTSB (0.35) | CYP3A4TDP1CTSCCTSKCTSS | |
| SCHEMBL9714488 | 0.82 | CYP3A4 (0.36) | CYP3A4TDP1CTSCCYP2D6CTSK | |
| SCHEMBL9714601 | 0.80 | ESR2 (0.36) | CYP3A4TDP1CYP1A2 | |
| SCHEMBL31118140 | 0.79 | CTSC (0.46) | CTSCCYP2D6CTSKMAOBTRPA1 | |
| SCHEMBL9714774 | 0.77 | CYP3A4 (0.36) | CYP3A4TDP1TRPA1 | |
| SCHEMBL15201702 | 0.74 | TP53 (0.50) | CYP3A4TDP1CYP1A2 | |
| SCHEMBL9714829 | 0.74 | CYP3A4 (0.34) | CYP3A4TDP1CTSC | |
| SCHEMBL22871613 | 0.74 | CYP3A4 (0.57) | CYP3A4TDP1 | |
| SCHEMBL9714604 | 0.73 | TDP1 (0.43) | CYP3A4TDP1MAOB | |
| SCHEMBL9714610 | 0.73 | MAOB (0.46) | CYP3A4TDP1MAOB |
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 |