Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | CNR2 | P34972 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| P-Cymene SCHEMBL28803514 | 0.92 | TSHR (0.54) | TSHRCNR2RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL113930 | 0.88 | IDO1 (0.52) | TSHRRAB9AL3MBTL1NPC1SMN1; SMN2 | |
| Benzyl Alcohol SCHEMBL28300717 | 0.84 | CNR2 (0.54) | TSHRCNR2RAB9AL3MBTL1NPC1 | |
| Alcohol SCHEMBL5309262 | 0.84 | IDO1 (0.48) | TSHRRAB9AL3MBTL1NPC1SMN1; SMN2 | |
| Benzyl Alcohol SCHEMBL4915528 | 0.83 | TSHR (0.74) | TSHRRAB9AALDH1A1TRPA1NPC1 | |
| Acetic Acid SCHEMBL29144999 | 0.83 | RXRA (0.47) | TSHRCNR2RAB9AALDH1A1L3MBTL1 | |
| Benzyl Alcohol SCHEMBL28599337 | 0.82 | TSHR (0.64) | TSHRTRPA1LTA4HMAPTTAAR1 | |
| SCHEMBL9344176 | 0.82 | IDO1 (0.47) | TSHRRAB9ANPC1SMN1; SMN2IDO1 | |
| Benzyl Alcohol SCHEMBL3949110 | 0.81 | TSHR (0.70) | TSHRALDH1A1TRPA1LTA4HTP53 | |
| SCHEMBL8750551 | 0.80 | TSHR (0.54) | TSHRALDH1A1TRPA1LTA4HKDM4E |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117425655-A | Nitrogen-containing heterocyclic compound for organic electroluminescent device | 默克专利有限公司 | 2024-01-19 | — | — | CN | disclosed |
| CN-116649013-A | Nitrogen-containing heteroaromatic compounds for organic electroluminescent devices | 默克专利有限公司 | 2023-08-25 | — | — | CN | disclosed |
| CN-116508417-A | Compounds useful for structuring functional layers of organic electroluminescent devices | 默克专利有限公司 | 2023-07-28 | — | — | CN | disclosed |
| CN-113173874-B | Method for extracting hydroperoxide from m-diisopropylbenzene oxidation product | 北京工业大学 | 2022-12-13 | — | — | CN | disclosed |
| CN-113135819-B | Method for improving yield of resorcinol prepared by m-diisopropylbenzene oxidation | 北京工业大学 | 2022-07-15 | — | — | CN | disclosed |
| CN-113173874-A | Method for extracting hydroperoxide from m-diisopropylbenzene oxidation product | 北京工业大学 | 2021-07-27 | — | — | CN | disclosed |
| CN-113135819-A | Method for improving yield of resorcinol prepared by m-diisopropylbenzene oxidation | 北京工业大学 | 2021-07-20 | — | — | CN | disclosed |