Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11111324 | 1.00 | CYP2C9 (0.45) | CYP2C9ALDH1A1LMNAMAPTPOLB | |
| SCHEMBL16055023 | 0.91 | LMNA (0.45) | ALDH1A1LMNAMAPTPOLBMEN1 | |
| SCHEMBL14469045 | 0.88 | CYP2C9 (0.41) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL11104310 | 0.84 | HPGD (0.55) | CYP2C9ALDH1A1LMNAMAPTPOLB | |
| SCHEMBL11104313 | 0.84 | HPGD (0.55) | CYP2C9ALDH1A1LMNAMAPTPOLB | |
| SCHEMBL11104307 | 0.84 | HPGD (0.55) | CYP2C9ALDH1A1LMNAMAPTPOLB | |
| SCHEMBL22040028 | 0.83 | CYP2C9 (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL18873612 | 0.83 | CYP2C9 (0.43) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL19497969 | 0.83 | CYP2C9 (0.43) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL18873605 | 0.81 | ALDH1A1 (0.42) | CYP2C9ALDH1A1LMNAMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4478740-A | Benzonitriles | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-10-23 | — | — | US | disclosed |