Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | RELA | Q04206 | 3/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PAM | P19021 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2307938 | 1.00 | TSHR (0.59) | TSHRMAOBLTA4HNFE2L2CYP19A1 | |
| SCHEMBL96115 | 1.00 | TSHR (0.59) | TSHRMAOBLTA4HNFE2L2CYP19A1 | |
| SCHEMBL13863542 | 0.91 | MAOB (0.61) | TSHRMAOBLTA4HNFE2L2CYP19A1 | |
| SCHEMBL6937222 | 0.90 | HDAC8 (0.53) | TSHRMAOBLTA4HNFE2L2CYP19A1 | |
| SCHEMBL6937219 | 0.90 | HDAC8 (0.53) | TSHRMAOBLTA4HNFE2L2CYP19A1 | |
| SCHEMBL4244889 | 0.87 | RELA (0.48) | TSHRMAOBLTA4HNFE2L2CYP19A1 | |
| SCHEMBL4765051 | 0.84 | TSHR (0.46) | TSHRLTA4HHDAC8HDAC2RELA | |
| SCHEMBL4765054 | 0.84 | TSHR (0.46) | TSHRLTA4HHDAC8HDAC2RELA | |
| SCHEMBL16382588 | 0.84 | LMNA (0.70) | MAOBHDAC8HDAC2HDAC1LMNA | |
| SCHEMBL9335412 | 0.80 | TSHR (0.52) | TSHRMAOBNFE2L2CYP19A1MAOA |
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-116425607-A | Method for preparing cis-form or trans-form alkene by chromium-catalyzed intermediate alkyne selective hydrogenation | 四川大学 | 2023-07-14 | — | — | CN | disclosed |