Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10210996 | 0.84 | CCR5 (0.51) | HTR2CHTR2AHTR2BCCR5 | |
| SCHEMBL14390239 | 0.72 | HTR2C (0.43) | HTR2CHTR2AHTR2BSLC6A3SLC6A2 | |
| SCHEMBL19565212 | 0.71 | TACR1 (0.39) | HTR2CHTR2AHTR2BSLC6A3SLC6A2 | |
| SCHEMBL7079965 | 0.71 | SLC6A3 (0.56) | SLC6A3 | |
| SCHEMBL7079969 | 0.71 | SLC6A3 (0.56) | SLC6A3 | |
| SCHEMBL14813595 | 0.71 | HTR2C (0.43) | HTR2CHTR2AHTR2BKCNH2ALDH1A1 | |
| SCHEMBL27389116 | 0.71 | KCNH2 (0.41) | HTR2CHTR2AHTR2BSLC6A3SLC6A2 | |
| Hydrochloric Acid SCHEMBL7084158 | 0.70 | SLC6A3 (0.55) | HTR2CHTR2AHTR2BSLC6A3 | |
| Hydrochloric Acid SCHEMBL7084155 | 0.70 | SLC6A3 (0.55) | HTR2CHTR2AHTR2BSLC6A3 | |
| SCHEMBL807450 | 0.70 | SLC6A3 (0.44) | HTR2CHTR2AHTR2BSLC6A3SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012036997-A1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-03-22 | — | — | WO | disclosed |