Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL24001039 | 0.80 | — | — | |
| SCHEMBL16491161 | 0.64 | — | — | |
| SCHEMBL1660122 | 0.64 | CARM1 (0.31) | — | |
| SCHEMBL18754574 | 0.61 | — | — | |
| SCHEMBL19200457 | 0.60 | TDP1 (0.80) | CYP2C9TSHRCYP2C19TDP1 | |
| SCHEMBL22084638 | 0.60 | TDP1 (0.80) | CYP2C9TSHRCYP2C19TDP1 | |
| SCHEMBL8341089 | 0.59 | CYP2C9 (0.43) | CYP2C9TSHRCYP2C19TDP1 | |
| SCHEMBL18979184 | 0.59 | — | — | |
| SCHEMBL8242234 | 0.58 | CYP1A2 (0.45) | CYP1A2 | |
| SCHEMBL14405646 | 0.58 | ACHE (0.43) | CYP1A2TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000010007-A9 | DEVICES AND METHODS FOR ANALYSIS OF NON-IONIC SOLUTES | CALIFORNIA INST OF TECHN (US) | 2000-07-06 | — | — | WO | claimed |
| US-6063637-A | SENSING MATERIAL OF METAL COMPLEXES HAVING AT LEAST TWO COORDINATION SITES FOR BINDING TARGET AND A DETECTOR FOR MEASURING THE PROTONS OR HYDROXIDE IONS RELEASED FROM THE SENSING MATERIAL WHEN ANALYTE IS BOUND | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2000-05-16 | — | — | US | claimed |
| WO-2000010007-A2 | DEVICES AND METHODS FOR ANALYSIS OF NON-IONIC SOLUTES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2000-02-24 | — | — | WO | claimed |
| US-6063637-A | SENSING MATERIAL OF METAL COMPLEXES HAVING AT LEAST TWO COORDINATION SITES FOR BINDING TARGET AND A DETECTOR FOR MEASURING THE PROTONS OR HYDROXIDE IONS RELEASED FROM THE SENSING MATERIAL WHEN ANALYTE IS BOUND | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2000-05-16 | — | — | US | disclosed |