Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | BCR | P11274 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 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 | |
|---|---|---|---|---|
| SCHEMBL11948882 | 1.00 | CYP3A4 (0.45) | CYP3A4ALOX5PTGS1PTGS2IDO1 | |
| SCHEMBL22171539 | 0.89 | CYP3A4 (0.50) | CYP3A4ALOX5PTGS1PTGS2IDO1 | |
| SCHEMBL21608947 | 0.83 | CYP3A4 (0.40) | CYP3A4ALOX5PTGS1PTGS2TDP1 | |
| SCHEMBL14817563 | 0.83 | CYP3A4 (0.40) | CYP3A4ALOX5PTGS1PTGS2TDP1 | |
| SCHEMBL28030980 | 0.82 | CYP3A4 (0.48) | CYP3A4ALOX5PTGS1PTGS2IDO1 | |
| SCHEMBL15050572 | 0.80 | TP53 (0.44) | CYP3A4ERN1TDP1ABL1ABCB1 | |
| SCHEMBL11046054 | 0.80 | TP53 (0.44) | CYP3A4ERN1TDP1ABL1ABCB1 | |
| SCHEMBL30374990 | 0.80 | TP53 (0.44) | CYP3A4ERN1TDP1ABL1ABCB1 | |
| SCHEMBL11664142 | 0.78 | ERN1 (0.41) | CYP3A4ALOX5PTGS1PTGS2IDO1 | |
| SCHEMBL14212001 | 0.78 | CYP3A4 (0.41) | CYP3A4ALOX5PTGS1PTGS2IDO1 |
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-2534152-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-02 | — | — | EP | disclosed |