Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | NMT2 | O60551 | 1/20 | 0.46 |
| ▸ | NMT1 | P30419 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11722934 | 0.86 | CYP2D6 (0.56) | CYP2D6ADRB2ADRB1ADRB3MEN1 | |
| SCHEMBL11722939 | 0.86 | CYP2D6 (0.56) | CYP2D6ADRB2ADRB1ADRB3MEN1 | |
| SCHEMBL11716265 | 0.84 | ADRB2 (0.45) | ADRB2ADRB1ADRB3ITGB3ITGA2B | |
| SCHEMBL11716272 | 0.84 | ADRB2 (0.45) | ADRB2ADRB1ADRB3ITGB3ITGA2B | |
| SCHEMBL30234234 | 0.82 | ADRB2 (0.59) | CYP2D6ADRB2ADRB1ADRB3MEN1 | |
| SCHEMBL10554548 | 0.77 | ADRB2 (0.67) | CYP2D6ADRB2ADRB1ADRB3MEN1 | |
| SCHEMBL10551178 | 0.77 | ADRB2 (0.67) | CYP2D6ADRB2ADRB1ADRB3MEN1 | |
| SCHEMBL11718737 | 0.77 | ADRB2 (0.43) | ADRB2ADRB1ADRB3 | |
| SCHEMBL11718729 | 0.77 | ADRB2 (0.43) | ADRB2ADRB1ADRB3 | |
| SCHEMBL11720768 | 0.77 | ADRB2 (0.57) | CYP2D6ADRB2ADRB1ADRB3MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4038414-A | ANTIARRHYTHMIA AGENTS | CIBA-GEIGY CORPORATION (US) | 1977-07-26 | — | — | US | disclosed |
| US-4014920-A | N-cinnamylcarbamic acid esters | CIBA-GEIGY CORPORATION (US) | 1977-03-29 | — | — | US | disclosed |