Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CTSC | P53634 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9714646 | 0.88 | MEN1 (0.35) | CYP3A4TDP1POLBCTSCMEN1 | |
| SCHEMBL9714488 | 0.85 | CYP3A4 (0.36) | CYP3A4TDP1CTSCTSHR | |
| SCHEMBL9714791 | 0.83 | LTA4H (0.36) | TDP1 | |
| SCHEMBL9714774 | 0.79 | CYP3A4 (0.36) | CYP3A4TDP1TSHR | |
| SCHEMBL13900603 | 0.79 | POLB (0.47) | POLBCTSCMEN1KMT2AKDM4E | |
| SCHEMBL9714816 | 0.76 | SLC6A2 (0.34) | CYP3A4TDP1MEN1KMT2ATSHR | |
| SCHEMBL9714712 | 0.75 | TSHR (0.36) | CYP3A4TDP1MEN1KMT2AKDM4E | |
| SCHEMBL9714601 | 0.74 | ESR2 (0.36) | CYP3A4TDP1MEN1KMT2AALDH1A1 | |
| SCHEMBL9714707 | 0.74 | CYP3A4 (0.34) | CYP3A4TDP1CTSC | |
| SCHEMBL22871613 | 0.74 | CYP3A4 (0.57) | CYP3A4TDP1MEN1KMT2AKDM4E |
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 |