Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 3/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.42 |
| ▸ | IMPDH1 | P20839 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL27513831 | 1.00 | TSHR (0.60) | TSHRCA1CA2ESR2MAOA | |
| Fluoride SCHEMBL31505244 | 1.00 | TSHR (0.60) | TSHRCA1CA2ESR2MAOA | |
| SCHEMBL2818597 | 0.96 | TSHR (0.63) | TSHRCA1CA2ESR2MAOA | |
| Water SCHEMBL19410621 | 0.96 | TSHR (0.63) | TSHRCA1CA2ESR2MAOA | |
| SCHEMBL57480 | 0.96 | TSHR (0.63) | TSHRCA1CA2ESR2MAOA | |
| Water SCHEMBL27896186 | 0.96 | TSHR (0.63) | TSHRCA1CA2ESR2MAOA | |
| SCHEMBL29352197 | 0.96 | TSHR (0.63) | TSHRCA1CA2ESR2MAOA | |
| Hydrochloric Acid SCHEMBL8884007 | 0.93 | TSHR (0.60) | TSHRCA1CA2ESR2MAOA | |
| Charcoal, Activated SCHEMBL1376916 | 0.93 | TSHR (0.60) | TSHRCA1CA2ESR2MAOA | |
| Methane SCHEMBL18035842 | 0.93 | TSHR (0.60) | TSHRCA1CA2ESR2MAOA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105934426-B | Aryl sulfonic acid compound and its utilization | 日产化学工业株式会社 | 2019-01-15 | — | — | CN | disclosed |
| CN-105934426-A | Aryl sulfonic acid compound and use thereof | 日产化学工业株式会社 | 2016-09-07 | — | — | CN | disclosed |
| CN-1680380-B | Method for production of halogen-containing phthalocyanine compound | NIPPON CATALYTIC CHEM IND | 2010-06-23 | — | — | CN | disclosed |
| CN-1122004-C | Halogen exchange reactions and uses thereof | ALBEMARLE CORP (US) | 2003-09-24 | — | — | CN | disclosed |
| CN-1238748-A | Halogen exchange reaction and application thereof | ALBEMARLE CORP (US) | 1999-12-15 | — | — | CN | disclosed |