Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 6/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002842 | 1.00 | HTR6 (0.44) | HTR6CYP11B1CYP11B2HTR2CHTR2A | |
| SCHEMBL10799201 | 0.90 | APLNR (0.47) | HTR6HTR2CHTR2AKCNH2PTGS2 | |
| SCHEMBL5212828 | 0.89 | CYP11B1 (0.49) | HTR6CYP11B1CYP11B2HTR2CHTR2A | |
| Hydrochloric Acid SCHEMBL10800269 | 0.89 | APLNR (0.46) | HTR6HTR2CHTR2AKCNH2PTGS2 | |
| Hydrochloric Acid SCHEMBL4095644 | 0.88 | CYP11B1 (0.48) | HTR6CYP11B1CYP11B2HTR2CHTR2A | |
| SCHEMBL10800346 | 0.83 | HTR6 (0.44) | HTR6 | |
| SCHEMBL10794742 | 0.83 | HTR3A (0.47) | HTR6HTR2CHTR2AKCNH2CXCR2 | |
| SCHEMBL336837 | 0.82 | HTR2A (0.45) | HTR6HTR2CHTR2AKCNH2CXCR2 | |
| Hydrochloric Acid SCHEMBL10795400 | 0.81 | HTR3A (0.46) | HTR6CXCR2 | |
| Hydrochloric Acid SCHEMBL1760982 | 0.81 | HTR6 (0.46) | HTR6CXCR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105612153-B | Substituted heterocyclic sulfonamide compound as TRPA1 conditioning agents | 豪夫迈·罗氏有限公司 | 2018-09-14 | — | — | CN | disclosed |