Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CASP7 | P55210 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9769270 | 1.00 | ADRB2 (0.43) | ADRB2LMNATSHRHIF1ACYP3A4 | |
| SCHEMBL9769407 | 0.88 | ADRB3 (0.43) | ADRB2ADRB1 | |
| SCHEMBL9769266 | 0.88 | ADRB2 (0.35) | ADRB2TSHRHIF1AADRB1CYP1A2 | |
| SCHEMBL9769415 | 0.88 | ADRB2 (0.35) | ADRB2TSHRHIF1AADRB1CYP1A2 | |
| SCHEMBL9769411 | 0.88 | ADRB3 (0.43) | ADRB2ADRB1 | |
| SCHEMBL9769354 | 0.86 | ADRB3 (0.34) | ADRB2TSHRHIF1AADRB1CYP1A2 | |
| SCHEMBL9769226 | 0.86 | ADRB2 (0.33) | ADRB2LMNATSHRHIF1ACYP3A4 | |
| SCHEMBL9769232 | 0.86 | ADRB2 (0.33) | ADRB2LMNATSHRHIF1ACYP3A4 | |
| SCHEMBL9769369 | 0.83 | ADRB2 (0.33) | ADRB2LMNATSHRHIF1ACYP3A4 | |
| SCHEMBL9769364 | 0.83 | ADRB2 (0.33) | ADRB2LMNATSHRHIF1ACYP3A4 |
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-5019578-A | β-adrenergic agonists | MERCK & CO., INC. (US) | 1991-05-28 | — | — | US | disclosed |