Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4397357 | 0.93 | HRH1 (0.64) | HRH1CYP1A2ALDH1A1CYP2C19HRH3 | |
| SCHEMBL1921574 | 0.90 | HRH3 (0.70) | HRH1CYP1A2ALDH1A1CYP2C19HRH3 | |
| SCHEMBL23053146 | 0.88 | CYP1A2 (0.69) | HRH1CYP1A2ALDH1A1CYP2C19HRH3 | |
| SCHEMBL28455774 | 0.84 | CHRM2 (0.74) | HRH1CYP1A2ALDH1A1HRH3LMNA | |
| SCHEMBL3319194 | 0.84 | CHRM2 (0.74) | HRH1CYP1A2ALDH1A1HRH3LMNA | |
| SCHEMBL160154 | 0.83 | CHRM2 (0.73) | HRH1CYP1A2ALDH1A1HRH3LMNA | |
| SCHEMBL5707525 | 0.82 | CYP1A2 (0.61) | HRH1CYP1A2ALDH1A1CYP2C19HRH3 | |
| SCHEMBL6890029 | 0.82 | CHRM2 (0.57) | HRH1CYP1A2ALDH1A1CYP2C19HRH3 | |
| SCHEMBL5707323 | 0.81 | CYP1A2 (0.60) | HRH1CYP1A2ALDH1A1CYP2C19HRH3 | |
| SCHEMBL10931346 | 0.81 | CYP1A2 (0.60) | HRH1CYP1A2ALDH1A1CYP2C19HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999039575-A2 | SYNERGISTIC BIOCIDAL ACTIVITY OF TERNARY COMPLEXES OF NEGATIVELY -CHARGED BIOCIDES (COMPONENT A), TRANSITION METAL IONS (COMPONENT B), AND NEUTRAL CHELATORS (COMPONENT C) | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 1999-08-12 | — | — | WO | claimed |
| JP-60123508-A | — | — | None | — | — | JP | disclosed |
| JP-59030802-A | — | — | None | — | — | JP | disclosed |
| JP-S60123508-A | PRODUCTION OF PYRIDYLALKYLAMINOPOLYCARBOXYLIC ACID TYPE CHELATE RESIN | AGENCY OF IND SCIENCE & TECHNOL | 1985-07-02 | — | — | JP | disclosed |
| JP-S5930802-A | PREPARATION OF CHELATE RESIN HAVING PYRIDYLALKYLAMINE AND PYRIDYLALKYLAMINOPOLYCARBOXYLIC ACID AS LIGAND | AGENCY OF IND SCIENCE & TECHNOL | 1984-02-18 | — | — | JP | disclosed |