Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UGT2B7 | P16662 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | CDC42 | P60953 | 1/20 | 0.32 |
| ▸ | RAC1 | P63000 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | CYP26A1 | O43174 | 4/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.31 |
| ▸ | TTBK1 | Q5TCY1 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15447819 | 1.00 | UGT2B7 (0.37) | UGT2B7ABL1PLGPLAUAKR1C3 | |
| SCHEMBL16837624 | 0.90 | UGT2B7 (0.37) | UGT2B7ABL1PLGPLAUAKR1C3 | |
| SCHEMBL18562292 | 0.89 | AKR1C3 (0.32) | AKR1C3AKR1C2PTGS2PTGS1CDC42 | |
| SCHEMBL15447818 | 0.87 | ABL1 (0.35) | UGT2B7ABL1PLGPLAUAKR1C3 | |
| SCHEMBL17299145 | 0.84 | AKR1C3 (0.36) | UGT2B7ABL1PLGPLAUAKR1C3 | |
| SCHEMBL15447960 | 0.83 | — | — | |
| SCHEMBL18827888 | 0.82 | CYP26A1 (0.33) | UGT2B7AKR1C3AKR1C2CYP2C9HSD17B10 | |
| SCHEMBL15448426 | 0.82 | GSK3B (0.37) | — | |
| SCHEMBL15448416 | 0.80 | UGT2B7 (0.44) | UGT2B7AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL9905543 | 0.79 | UGT2B7 (0.47) | UGT2B7ABL1PLGPLAUPTGS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2859009-B1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES INC (US) | 2017-10-18 | — | — | EP | disclosed |
| EP-2861604-B1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES INC (US) | 2017-03-01 | — | — | EP | disclosed |