Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL172963 | 0.89 | — | — | |
| Formamide SCHEMBL27667903 | 0.87 | TAAR1 (0.48) | TAAR1GABRA1GABRB2IDO1CYP1A2 | |
| SCHEMBL12086036 | 0.86 | TAAR1 (0.50) | TAAR1GABRA1GABRB2IDO1CYP1A2 | |
| Formaldehyde SCHEMBL27915397 | 0.84 | TAAR1 (0.48) | TAAR1GABRA1GABRB2IDO1CYP1A2 | |
| Methylamine SCHEMBL11265851 | 0.84 | TAAR1 (0.54) | TAAR1GABRA1GABRB2IDO1CYP1A2 | |
| Formic Acid SCHEMBL27758022 | 0.84 | GABRA1 (0.52) | GABRA1GABRB2CYP2D6MGLLPOLB | |
| Acetic Acid SCHEMBL30931543 | 0.83 | CYP1A2 (0.50) | TAAR1GABRA1GABRB2IDO1CYP1A2 | |
| Propylamine SCHEMBL11274249 | 0.78 | TAAR1 (0.59) | TAAR1GABRA1GABRB2IDO1CYP1A2 | |
| Formic Acid SCHEMBL27578535 | 0.78 | TDP1 (0.38) | TAAR1IDO1CYP1A2CYP2D6CYP2C9 | |
| Chlorobenzene SCHEMBL27595529 | 0.77 | TSHR (0.46) | TAAR1GABRA1GABRB2IDO1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105980376-A | Heterocyclic modulators of lipid synthesis for use against cancer and viral infections | 3-V生物科学股份有限公司 | 2016-09-28 | — | — | CN | disclosed |