Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | CYSLTR1 | Q9Y271 | 5/20 | 0.42 |
| ▸ | LTB4R | Q15722 | 5/20 | 0.42 |
| ▸ | CYSLTR2 | Q9NS75 | 4/20 | 0.42 |
| ▸ | LTB4R2 | Q9NPC1 | 3/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL10632518 | 0.86 | CYP4F2 (0.59) | NFKB1NFKB2RELACYSLTR1LTB4R | |
| SCHEMBL30991577 | 0.86 | CYP4F2 (0.59) | NFKB1NFKB2RELACYSLTR1LTB4R | |
| SCHEMBL10636325 | 0.85 | LTB4R (0.51) | NFKB1NFKB2RELACYSLTR1LTB4R | |
| SCHEMBL10635448 | 0.81 | CYP4F2 (0.59) | NFKB1NFKB2RELACYSLTR1LTB4R | |
| SCHEMBL9764766 | 0.77 | LTB4R (0.57) | NFKB1NFKB2RELACYSLTR1LTB4R | |
| SCHEMBL29052788 | 0.77 | CYP4F2 (0.53) | NFKB1NFKB2RELACYP4F2CYP4A11 | |
| SCHEMBL9821858 | 0.77 | ESR1 (0.51) | DRD2DRD4DRD3 | |
| SCHEMBL9764765 | 0.77 | LTB4R (0.56) | NFKB1NFKB2RELACYSLTR1LTB4R | |
| SCHEMBL10703692 | 0.76 | CYSLTR1 (0.40) | NFKB1NFKB2RELACYSLTR1LTB4R | |
| SCHEMBL10436978 | 0.75 | LTB4R (0.47) | NFKB1NFKB2RELACYSLTR1LTB4R |
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-5003090-A | Chemical Intermediates | HOFFMANN-LA ROCHE INC. (US) | 1991-03-26 | — | — | US | disclosed |
| US-4931574-A | Process for the preparation of benzopyrans | HOFFMANN-LA ROCHE INC. (US) | 1990-06-05 | — | — | US | disclosed |
| EP-0355617-A1 | Process for the manufacture of benzopyran derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1990-02-28 | — | — | EP | disclosed |