Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.70 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NQO1 | P15559 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30504578 | 0.86 | EGFR (0.70) | EGFRCYP11B1CYP11B2CYP19A1TP53 | |
| SCHEMBL4649110 | 0.86 | EGFR (0.70) | EGFRCYP11B1CYP11B2CYP19A1TP53 | |
| SCHEMBL27399910 | 0.83 | EGFR (0.65) | EGFRPIK3CDPIK3CAFGFR4MAPT | |
| SCHEMBL3372138 | 0.82 | EGFR (1.00) | EGFRCYP11B1CYP11B2PIK3CDPIK3CA | |
| Hydrochloric Acid SCHEMBL28032872 | 0.81 | EGFR (0.96) | EGFRCYP11B1CYP11B2PIK3CDPIK3CA | |
| SCHEMBL30513751 | 0.78 | EGFR (0.78) | EGFRPIK3CDPIK3CAALDH1A1PDE3B | |
| SCHEMBL31391456 | 0.76 | PDE3B (0.48) | CYP11B1CYP11B2CYP19A1TP53CYP3A4 | |
| SCHEMBL535665 | 0.76 | EGFR (0.64) | EGFRPIK3CDPIK3CAKMT2AALDH1A1 | |
| SCHEMBL13302286 | 0.75 | CYP11B1 (0.62) | CYP11B1CYP11B2CYP19A1TP53KMT2A | |
| SCHEMBL30918007 | 0.75 | EGFR (0.55) | EGFRPIK3CDPIK3CAFGFR4NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105693645-B | Condensed heterocyclic compouds as ion channel modulators | 吉利德科学公司 | 2018-10-09 | — | — | CN | disclosed |