Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 8/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 2/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2252772 | 0.76 | ADRB1 (0.60) | ADRB1HTR3EHTR3BALDH1A1HTR1D | |
| SCHEMBL25240045 | 0.71 | HTR2C (0.42) | ADRB1ALDH1A1HTR2CSIGMAR1GSK3B | |
| SCHEMBL25282803 | 0.71 | HTR2C (0.42) | ADRB1ALDH1A1HTR2CSIGMAR1GSK3B | |
| SCHEMBL10104429 | 0.71 | ADRB1 (0.50) | ADRB1HTR3EHTR3BALDH1A1HTR1D | |
| SCHEMBL7147614 | 0.70 | TACR1 (0.38) | DPP4TRPV1TACR1NOTUMMEN1 | |
| SCHEMBL27869768 | 0.68 | GSK3B (0.40) | HTR3EHTR3BALDH1A1HTR1DHTR2C | |
| SCHEMBL19049065 | 0.68 | HTR2C (0.39) | ALDH1A1HTR2CMAPTGSK3BPDE10A | |
| SCHEMBL16640390 | 0.68 | SLC6A9 (0.50) | GSK3BPDE10A | |
| SCHEMBL30885274 | 0.66 | HRH4 (0.52) | GSK3BPDE10AKMT2A | |
| SCHEMBL27201300 | 0.66 | HRH4 (0.52) | GSK3BPDE10AKMT2A |
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-5798359-A | USEFUL FOR TREATMENT OF RESPIRATORY DISORDERS SUCH AS ASTHMA | SCHERING CORPORATION (US) | 1998-08-25 | — | — | US | disclosed |