Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 16/20 | 0.59 |
| ▸ | CASP3 | P42574 | 1/20 | 0.55 |
| ▸ | CASP6 | P55212 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9661334 | 0.89 | ADRB2 (0.69) | ADRB2CASP3CASP6CYP1A2CYP3A4 | |
| SCHEMBL9664001 | 0.88 | ADRB2 (0.63) | ADRB2CASP3CASP6CYP1A2CYP3A4 | |
| SCHEMBL10662533 | 0.88 | ADRB2 (0.63) | ADRB2CASP3CASP6CYP1A2CYP3A4 | |
| SCHEMBL10661718 | 0.88 | ADRB2 (0.63) | ADRB2CASP3CASP6CYP1A2CYP3A4 | |
| SCHEMBL14422831 | 0.87 | ADRB2 (0.67) | ADRB2CASP3CASP6CYP1A2CYP3A4 | |
| SCHEMBL11174404 | 0.86 | ADRB2 (0.61) | ADRB2CASP3CASP6CYP1A2CYP3A4 | |
| SCHEMBL10659713 | 0.86 | ADRB2 (0.58) | ADRB2CASP3CASP6CYP1A2CYP3A4 | |
| SCHEMBL10661301 | 0.85 | ADRB2 (0.57) | ADRB2CASP3CASP6CYP1A2CYP3A4 | |
| SCHEMBL13754643 | 0.83 | ADRB2 (0.72) | ADRB2CASP3CASP6CYP1A2CYP2D6 | |
| SCHEMBL7143882 | 0.83 | ADRB2 (0.72) | ADRB2CASP3CASP6CYP1A2CYP2D6 |
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-0006735-B1 | SECONDARY AMINES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE | BEECHAM GROUP PLC (GB) | 1983-06-15 | — | — | EP | disclosed |