Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.54 |
| ▸ | ABAT | P80404 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3804172 | 0.85 | ALDH1A1 (0.52) | ESR1ESR2ABATCA2ALDH1A1 | |
| SCHEMBL29369685 | 0.80 | ESR1 (0.55) | ESR1ESR2ABATCA2ALDH1A1 | |
| SCHEMBL22477359 | 0.79 | ESR1 (0.48) | ESR1ESR2ABATCA2ALDH1A1 | |
| SCHEMBL15490714 | 0.79 | ESR1 (0.80) | ESR1ESR2ABATCA2ALDH1A1 | |
| SCHEMBL10748300 | 0.78 | CYP1A2 (0.53) | CA2ALDH1A1NPC1CA12CA1 | |
| SCHEMBL8781904 | 0.78 | TSHR (0.46) | ESR1ESR2CA2CA12CA1 | |
| SCHEMBL116611 | 0.76 | HRH3 (0.64) | ESR1ESR2ABATCA2ALDH1A1 | |
| SCHEMBL9416592 | 0.76 | BCHE (0.53) | ESR1ESR2ABATCA2ALDH1A1 | |
| SCHEMBL19206134 | 0.76 | HRH3 (0.64) | ESR1ESR2ABATCA2ALDH1A1 | |
| SCHEMBL4967718 | 0.76 | CYP2C19 (0.50) | ALDH1A1IDO1TAAR1CYP2C19TDP1 |
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-112190570-B | Application of gastrodia tuber source derivative in preparing medicine for treating acute or chronic pain | 中国医学科学院药物研究所 | 2023-05-05 | — | — | CN | disclosed |
| CN-112190571-B | Application of gastrodia tuber source derivative in preparing medicine for treating inflammatory bowel disease | 中国医学科学院药物研究所 | 2023-05-05 | — | — | CN | disclosed |
| CN-112190571-A | Application of derivative from gastrodia elata in preparation of medicine for treating inflammatory bowel disease | 中国医学科学院药物研究所 | 2021-01-08 | — | — | CN | disclosed |
| CN-112190570-A | Application of derivative derived from rhizoma gastrodiae in preparation of medicine for treating acute or chronic pain | 中国医学科学院药物研究所 | 2021-01-08 | — | — | CN | disclosed |
| CN-103420805-B | Polybenzyl derivatives with nerve cell protective activity in tall gastrodia tuber | 中国医学科学院药物研究所 | 2017-04-26 | — | — | CN | disclosed |
| CN-103420805-A | Polybenzyl derivatives with nerve cell protective activity in tall gastrodia tuber | INST MATERIA MEDICA CAMS | 2013-12-04 | — | — | CN | disclosed |
| EP-0140378-A2 | Discoloration-resistant spandex fiber | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1985-05-08 | — | — | EP | disclosed |