Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.39 |
| ▸ | ARG1 | P05089 | 1/20 | 0.35 |
| ▸ | DNMT3B | Q9UBC3 | 3/20 | 0.32 |
| ▸ | DNMT1 | P26358 | 2/20 | 0.32 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CTSC | P53634 | 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 | |
|---|---|---|---|---|
| SCHEMBL7340589 | 1.00 | CYP1A2 (0.39) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL4868082 | 0.80 | CYP2D6 (0.42) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL4871753 | 0.73 | CYP2D6 (0.41) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL4861020 | 0.73 | CYP2D6 (0.41) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL4871737 | 0.73 | CTSC (0.47) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL5514084 | 0.72 | CYP1A2 (0.38) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| Hydrochloric Acid SCHEMBL26115582 | 0.71 | CTSC (0.46) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL5507403 | 0.69 | CYP2D6 (0.43) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL4733538 | 0.68 | CYP2D6 (0.54) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL4733539 | 0.68 | CYP2D6 (0.54) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 |
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-4316906-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1982-02-23 | — | — | US | disclosed |