Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 15/20 | 0.61 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.47 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL10655920 | 0.88 | ADRB2 (0.59) | ADRB2ADRB1CYP1A2TSHRNFKB1 | |
| SCHEMBL10657587 | 0.86 | ADRB2 (0.57) | ADRB2ADRB1CYP1A2TSHRNFKB1 | |
| SCHEMBL10661718 | 0.86 | ADRB2 (0.63) | ADRB2ADRB1CYP1A2TSHRNFKB1 | |
| SCHEMBL10662533 | 0.86 | ADRB2 (0.63) | ADRB2ADRB1CYP1A2TSHRNFKB1 | |
| SCHEMBL9664001 | 0.86 | ADRB2 (0.63) | ADRB2ADRB1CYP1A2TSHRNFKB1 | |
| SCHEMBL9811969 | 0.86 | ADRB2 (0.59) | ADRB2ADRB1CYP1A2TSHRNFKB1 | |
| SCHEMBL11451001 | 0.85 | ADRB2 (0.66) | ADRB2ADRB1CYP1A2TSHRNFKB1 | |
| SCHEMBL10661645 | 0.85 | ADRB2 (0.56) | ADRB2ADRB1CYP1A2TSHRNFKB1 | |
| SCHEMBL10658719 | 0.85 | ADRB2 (0.69) | ADRB2ADRB1CYP1A2NFKB1HIF1A | |
| SCHEMBL11142453 | 0.83 | ADRB2 (0.64) | ADRB2ADRB1CYP1A2NFKB1HIF1A |
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 |