Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | F13A1 | P00488 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | THPO | P40225 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 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 | |
|---|---|---|---|---|
| SCHEMBL4650020 | 0.90 | TSHR (0.50) | TSHRPAOXTHRBCA12CA2 | |
| Hydrochloric Acid SCHEMBL11790765 | 0.88 | TSHR (0.49) | TSHRPAOXTHRBCA12CA2 | |
| Acetic Acid SCHEMBL11303299 | 0.87 | TSHR (0.47) | TSHRPAOXTHRBCA12CA2 | |
| SCHEMBL9279514 | 0.85 | TSHR (0.69) | TSHRPAOXTHRBPOLBAPEX1 | |
| SCHEMBL8052195 | 0.85 | TSHR (0.69) | TSHRPAOXTHRBPOLBAPEX1 | |
| SCHEMBL10610017 | 0.85 | TSHR (0.69) | TSHRPAOXTHRBPOLBAPEX1 | |
| SCHEMBL2515158 | 0.85 | TSHR (0.53) | TSHRPAOXTHRBCA12CA2 | |
| SCHEMBL9321905 | 0.84 | THRB (0.55) | TSHRTHRBCA2CA1POLB | |
| Hydrochloric Acid SCHEMBL20584800 | 0.84 | TSHR (0.67) | TSHRPAOXTHRBPOLBAPEX1 | |
| Bromide SCHEMBL28450721 | 0.84 | TSHR (0.67) | TSHRPAOXTHRBPOLBAPEX1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3390344-A1 | IMPROVED METHOD FOR SYNTHESISING PARTIALLY N-HYDROXYETHYLATED TERTIARY 1,6-HEXANEDIAMINES | IFP Energies nouvelles (FR) | 2018-10-24 | — | — | EP | disclosed |