Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Dimethyl Succinate SCHEMBL29029708 | 0.84 | TSHR (0.65) | GLATSHRKMT2AMEN1ALDH1A1 | |
| Fluoride SCHEMBL28113520 | 0.83 | — | — | |
| SCHEMBL1331006 | 0.81 | — | — | |
| SCHEMBL26568 | 0.81 | — | — | |
| SCHEMBL12305750 | 0.81 | — | — | |
| SCHEMBL12305774 | 0.81 | — | — | |
| Tetrahydrofuran SCHEMBL28151778 | 0.80 | TSHR (0.46) | GLATSHRKMT2AMEN1ALDH1A1 | |
| Tetrahydrofuran SCHEMBL16594190 | 0.78 | TSHR (0.50) | GLATSHRKMT2AMEN1ALDH1A1 | |
| SCHEMBL8926646 | 0.78 | — | — | |
| Methane SCHEMBL27731346 | 0.78 | — | — |
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-1380279-A | (4-alkynyl), aromatic keto-acid compound, synthesis method and its application | SHANGHAI INST ORGANIC CHEM (CN) | 2002-11-20 | — | — | CN | disclosed |