Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | NCF1 | P14598 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HCN1 | O60741 | 2/20 | 0.44 |
| ▸ | HCN4 | Q9Y3Q4 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30367448 | 0.77 | KDM1A (0.50) | CYP1A2NCF1L3MBTL1MAPTCRHR1 | |
| SCHEMBL6790532 | 0.76 | CYP1A2 (0.60) | CYP1A2NCF1L3MBTL1MAPT | |
| SCHEMBL8894118 | 0.76 | L3MBTL1 (0.52) | CYP1A2TP53L3MBTL1HCN1HCN4 | |
| SCHEMBL18594282 | 0.76 | APAF1 (0.54) | CYP1A2TP53L3MBTL1HCN1HCN4 | |
| SCHEMBL6652646 | 0.75 | ALDH1A1 (0.47) | CYP1A2HCN1HCN4CYP2D6TSHR | |
| SCHEMBL28307886 | 0.74 | CRHR1 (0.56) | CYP1A2NCF1MAPTNPSR1CRHR1 | |
| SCHEMBL6790530 | 0.73 | CYP1A2 (0.56) | CYP1A2NCF1L3MBTL1CYP2C19MAPT | |
| SCHEMBL30367104 | 0.72 | CYP1A2 (0.50) | CYP1A2NCF1EGFR | |
| SCHEMBL30367038 | 0.72 | CYP1A2 (0.50) | CYP1A2NCF1TP53CYP2D6TSHR | |
| SCHEMBL6592538 | 0.72 | NCF1 (0.47) | CYP1A2NCF1L3MBTL1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5654298-A | QUARTERNARY SALTS OF 4-AMINO-SUBSTITUTED PYRIDINES; MODULATORS OF THE SINOATRIAL NODE; CARDIOTONIC AND BRADYCARDIA AGENTS; | IMPERIAL CHEMICAL INDUSTRIES (GB) | 1997-08-05 | — | — | US | disclosed |
| EP-0453197-B1 | Amine derivatives | ICI PLC (GB) | 1994-06-15 | — | — | EP | disclosed |
| EP-0453197-A1 | Amine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-10-23 | — | — | EP | disclosed |