Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | F2R | P25116 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | PHGDH | O43175 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LSS | P48449 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL678324 | 0.84 | CYP2A6 (0.48) | TSHRCYP3A4MAOBMAOACYP19A1 | |
| SCHEMBL9714443 | 0.83 | CNR1 (0.39) | TSHRCYP3A4TDP1 | |
| SCHEMBL15657161 | 0.80 | TSHR (0.59) | TSHRCYP3A4TDP1MAOBMAOA | |
| SCHEMBL15657685 | 0.80 | TSHR (0.59) | TSHRCYP3A4TDP1MAOBMAOA | |
| SCHEMBL11799900 | 0.77 | MAOB (0.52) | TSHRCYP3A4TDP1MAOBMAOA | |
| Benzonitrile SCHEMBL8160966 | 0.74 | TSHR (0.58) | TSHRCYP3A4TDP1MAOBMAOA | |
| Benzonitrile SCHEMBL28306408 | 0.73 | TSHR (0.70) | TSHROPRD1MAOBMAOAALDH1A1 | |
| SCHEMBL27556285 | 0.73 | TDP1 (0.67) | TSHRCYP3A4TDP1MAOAALDH1A1 | |
| SCHEMBL11538059 | 0.72 | TSHR (0.45) | TSHRCYP3A4TDP1MAOBMAOA | |
| SCHEMBL9714610 | 0.72 | MAOB (0.46) | TSHRCYP3A4TDP1MAOBMAOA |
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 |