Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 14/20 | 0.71 |
| ▸ | MEN1 | O00255 | 2/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.68 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CASR | P41180 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11488169 | 0.89 | CYP2D6 (0.78) | CYP2D6MEN1KMT2ASLC22A1ADRB3 | |
| Oxalic Acid SCHEMBL11488606 | 0.87 | CYP2D6 (0.65) | CYP2D6MEN1KMT2ASLC22A1ADRB3 | |
| SCHEMBL10943456 | 0.86 | CYP2D6 (0.66) | CYP2D6MEN1KMT2ASLC22A1ADRB3 | |
| SCHEMBL11487276 | 0.85 | CYP2D6 (0.79) | CYP2D6MEN1KMT2ASLC22A1ADRB3 | |
| Oxalic Acid SCHEMBL11489521 | 0.84 | CYP2D6 (0.62) | CYP2D6MEN1KMT2ASLC22A1ADRB3 | |
| SCHEMBL14527202 | 0.84 | CYP2D6 (0.80) | CYP2D6MEN1KMT2ASLC22A1ADRB3 | |
| SCHEMBL11492576 | 0.83 | CYP2D6 (0.78) | CYP2D6MEN1KMT2ASLC22A1ADRB3 | |
| SCHEMBL11492849 | 0.83 | CYP2D6 (0.78) | CYP2D6MEN1KMT2ASLC22A1ADRB3 | |
| SCHEMBL10944151 | 0.83 | CYP2D6 (0.78) | CYP2D6MEN1KMT2ASLC22A1ADRB3 | |
| SCHEMBL11496120 | 0.83 | CYP2D6 (1.00) | CYP2D6MEN1KMT2ASLC22A1ADRB3 |
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-4234595-A | HYPOTENSIVE AGENTS; ADRENERGIC BLOCKING AGENTS; VASODILATION | MEAD JOHNSON & COMPANY (US) | 1980-11-18 | — | — | US | disclosed |