Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1333138 | 0.88 | — | — | |
| SCHEMBL7099166 | 0.83 | TSHR (0.60) | TSHRTHPOFFAR3LCKFYN | |
| SCHEMBL15656411 | 0.79 | TSHR (0.55) | TSHRTHPOFFAR3LCKFYN | |
| SCHEMBL30724539 | 0.79 | TSHR (0.55) | TSHRTHPOFFAR3LCKFYN | |
| SCHEMBL30849212 | 0.79 | TSHR (0.55) | TSHRTHPOFFAR3LCKFYN | |
| SCHEMBL6310940 | 0.78 | CA1 (0.44) | TSHRFFAR3LCKFYNLMNA | |
| Acetone SCHEMBL9320708 | 0.75 | LMNA (0.55) | TSHRTHPOFFAR3LCKFYN | |
| Pyruvate SCHEMBL23829857 | 0.74 | — | — | |
| Pyruvate SCHEMBL1331078 | 0.74 | — | — | |
| SCHEMBL4242167 | 0.74 | CA1 (0.40) | FFAR3LCKFYNCA1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-4448912-A | QUATERNIZATION WITH PRIMARY AND/OR SECONDARY AMINE AND ACID | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-05-15 | — | — | US | disclosed |