Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 8/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 7/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10505406 | 0.89 | CYP3A4 (0.35) | CYP3A4CYP2D6ADRB2ADRB1ADRB3 | |
| SCHEMBL10502904 | 0.88 | ADRB2 (0.39) | ADRB2ADRB1 | |
| SCHEMBL10505524 | 0.88 | ADRB2 (0.38) | ADRB2ADRB1KMT2AMEN1 | |
| SCHEMBL10505083 | 0.86 | ADRB2 (0.36) | CYP3A4CYP2D6ADRB2ADRB1ADRB3 | |
| SCHEMBL10504353 | 0.84 | ADRB1 (0.33) | ADRB2ADRB1ADRB3KMT2AMEN1 | |
| SCHEMBL10505093 | 0.84 | ADRB1 (0.34) | ADRB2ADRB1ADRB3KMT2AMEN1 | |
| SCHEMBL10593495 | 0.82 | ADRB1 (0.33) | ADRB2ADRB1ADRB3KMT2AMEN1 | |
| SCHEMBL10595244 | 0.81 | KMT2A (0.41) | CYP3A4CYP2D6ADRB2ADRB1ADRB3 | |
| SCHEMBL10863657 | 0.80 | ABCB1 (0.34) | ADRB2ADRB1ADRB3KMT2AMEN1 | |
| SCHEMBL10594554 | 0.80 | KMT2A (0.33) | KMT2AMEN1ABCB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0200915-A1 | Aminopropanol derivatives, process for their preparation, their use and medicines containing them | Roche Diagnostics GmbH (DE) | 1986-11-12 | — | — | EP | disclosed |