Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | TACR2 | P21452 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18364622 | 0.88 | TYR (0.50) | TYRTDP1ALOX5TP53CYP3A4 | |
| SCHEMBL19196917 | 0.86 | TYR (0.46) | TYRTDP1ALOX5TP53CYP3A4 | |
| SCHEMBL21577569 | 0.83 | P2RX7 (0.33) | TYR | |
| SCHEMBL11527166 | 0.80 | TYR (0.55) | TYRTDP1ALOX5TP53CYP3A4 | |
| SCHEMBL27680275 | 0.80 | TYR (0.55) | TYRTDP1ALOX5TP53CYP3A4 | |
| SCHEMBL6057017 | 0.80 | TYR (0.55) | TYRTDP1ALOX5TP53CYP3A4 | |
| SCHEMBL12238347 | 0.80 | TYR (0.46) | TYRTDP1ALOX5TP53CYP3A4 | |
| SCHEMBL19191993 | 0.79 | TYR (0.40) | TYRTDP1ALOX5TP53CYP3A4 | |
| SCHEMBL8089690 | 0.78 | TYR (0.44) | TYRTDP1ALOX5TP53CYP3A4 | |
| SCHEMBL19845808 | 0.78 | LPL (0.36) | TDP1MAPTLIPGPTGS2ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3500556-B1 | PYRIDINE-1-OXIDE DERIVATIVES AND THEIR USE AS FACTOR XIA INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-08-02 | — | — | EP | disclosed |