Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13646423 | 0.78 | KDM4E (0.37) | ESR1ESR2CYP1A2CYP3A4BACE1 | |
| SCHEMBL21386081 | 0.78 | NFE2L2 (0.32) | NFE2L2ACHECYP1A2CYP2A6NISCH | |
| SCHEMBL16960207 | 0.76 | NFE2L2 (0.36) | NFE2L2ACHECYP1A2CYP2A6NISCH | |
| SCHEMBL253758 | 0.76 | TRPV4 (0.43) | NFE2L2CYP2A6 | |
| SCHEMBL2897973 | 0.76 | NFE2L2 (0.36) | NFE2L2ACHEESR1ESR2CYP1A2 | |
| SCHEMBL6211823 | 0.76 | NFE2L2 (0.36) | NFE2L2ACHECYP1A2CYP2A6NISCH | |
| SCHEMBL25380612 | 0.75 | FFAR1 (0.38) | MAPTSMN1; SMN2 | |
| SCHEMBL15248987 | 0.74 | TDP1 (0.50) | ACHECYP1A2CYP2A6CYP3A4MAPT | |
| SCHEMBL26012336 | 0.74 | ACHE (0.35) | ACHECYP1A2CYP2A6CYP3A4GRM5 | |
| SCHEMBL12786003 | 0.74 | ACHE (0.35) | ACHECYP1A2CYP2A6CYP3A4GRM5 |
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-3294732-B1 | BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE | GILEAD SCIENCES INC (US) | 2019-09-25 | — | — | EP | disclosed |