Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.37 |
| ▸ | ACHE | P22303 | 6/20 | 0.37 |
| ▸ | BCHE | P06276 | 5/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | FBP1 | P09467 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21104776 | 0.81 | SLC6A3 (0.40) | IDO1TACR1SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL27822284 | 0.80 | HTT (0.42) | IDO1TACR1SLC6A3CYP2D6SLC6A2 | |
| SCHEMBL7926083 | 0.78 | AOC3 (0.44) | PTGS2ACHEBCHEIDO1 | |
| SCHEMBL8906237 | 0.78 | SLC6A3 (0.38) | IDO1TACR1SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL6155751 | 0.77 | AOC3 (0.45) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL3141582 | 0.77 | IDO1 (0.43) | PTGS2ACHEBCHEIDO1SLC6A3 | |
| SCHEMBL31175995 | 0.77 | IDO1 (0.43) | PTGS2ACHEBCHEIDO1SLC6A3 | |
| SCHEMBL5377867 | 0.77 | HIF1A (0.49) | PTGS2ACHEBCHESLC6A3CYP3A4 | |
| SCHEMBL3871619 | 0.77 | CYP3A4 (0.48) | PTGS2ACHEBCHESLC6A3CYP3A4 | |
| SCHEMBL9891656 | 0.77 | PTGS2 (0.37) | PTGS2ACHEBCHE |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0667855-B1 | SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | ABBOTT LAB (US) | 1999-03-24 | — | — | EP | disclosed |
| US-5616596-A | Substituted arylalkynyl-and heteroarylalkynl-N-hydroxyurea inhibitors of leukotriene biosynthesis | ABBOTT LABORATORIES (US) | 1997-04-01 | — | — | US | disclosed |
| EP-0667855-A4 | SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. | ABBOTT LAB (US) | 1996-02-21 | — | — | EP | disclosed |
| EP-0667855-A1 | SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | ABBOTT LABORATORIES (US) | 1995-08-23 | — | — | EP | disclosed |
| WO-1994011342-A1 | SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | ABBOTT LABORATORIES (US) | 1994-05-26 | — | — | WO | disclosed |
| US-5288751-A | [(Substituted) phenyalkyl]furylalkynyl-and [substituted) phenyalkyl] thienylalkynyl-N-hydroxyurea inhibitors or leukotriene biosynthesis | ABBOTT LABORATORIES (US) | 1994-02-22 | — | — | US | disclosed |