Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | ABAT | P80404 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11360108 | 0.81 | CA2 (0.50) | ESR1ESR2ABATCA2BLM | |
| SCHEMBL777796 | 0.74 | IDO1 (0.46) | TAAR1IDO1LMNA | |
| SCHEMBL4401171 | 0.74 | IDO1 (0.46) | CA2TAAR1ALDH1A1IDO1KMT2A | |
| Benzene SCHEMBL11030926 | 0.72 | CALM1 (0.45) | TAAR1ALDH1A1IDO1SLC6A2HPGD | |
| SCHEMBL22250999 | 0.72 | ESR1 (0.54) | ESR1ESR2CA2TAAR1KDM4E | |
| SCHEMBL3387953 | 0.69 | IDO1 (0.52) | CA2TAAR1KDM4EALDH1A1IDO1 | |
| Ethane SCHEMBL7199050 | 0.68 | TP53 (0.43) | TAAR1KDM4EALDH1A1IDO1SLC6A2 | |
| SCHEMBL3873458 | 0.67 | ESR1 (1.00) | ESR1ESR2ABATCA2TAAR1 | |
| SCHEMBL69344 | 0.67 | ESR1 (1.00) | ESR1ESR2ABATCA2TAAR1 | |
| SCHEMBL2969737 | 0.67 | ESR1 (1.00) | ESR1ESR2ABATCA2TAAR1 |
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 11 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-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-A | Polybenzyl derivatives with nerve cell protective activity in tall gastrodia tuber | INST MATERIA MEDICA CAMS | 2013-12-04 | — | — | CN | disclosed |
| US-8129357-B2 | N6-(4-hydroxybenzyl)adenosine; Gastrodia extract; neurodegenerative Huntington's disease; trinucleotide repeat disease; hypoglycemic; neurological antiinflammatory; amination of 6-chloropurine ribonucleoside with 4-hydroxybenzylamine; condensation of adenosine with 4-methoxybenzoyl chloride | ACADEMIA SINICA (TW) | 2012-03-06 | — | — | US | disclosed |
| US-20080176816-A1 | Method of making and using an adenosine analogue | ACADEMIA SINICA | 2008-07-24 | — | — | US | disclosed |
| US-7351434-B2 | Therapeutic Gastrodia extracts | ACADEMIA SINICA (TW) | 2008-04-01 | — | — | US | disclosed |
| US-20070237840-A1 | Administering bis(4-hydroxybenzyl)sulfide for therapy of Huntington's disease | ACADEMIA SINICA (TW) | 2007-10-11 | — | — | US | disclosed |
| US-6242654-B1 | REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-1013629-A1 | Preparation process of fluorine subsituted aromatic compound | Mitsui Chemicals, Inc. (JP) | 2000-06-28 | — | — | EP | disclosed |
| US-4302448-A | Secretin preparations with intensified and protracted action, process for their manufacture, their use as well as dihydroxybenzoyl-L-tyrosine | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-11-24 | — | — | US | disclosed |
| EP-0021184-A1 | Pharmaceutical compositions based on secretin with enhanced and protracted activity, process for their preparation and dihydroxybenzoyl-L-tyrosine | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-01-07 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080176816-A1 | Method of making and using an adenosine analogue | HTT, ADA, GDA | ESR1 4462/4885ESR2 3928/4885ABAT 145/4885 |
| US-20070237840-A1 | Administering bis(4-hydroxybenzyl)sulfide for therapy of Huntington's disease | HTT, SNCA, SLC2A4 | ESR1 3557/4885ESR2 2970/4885ABAT 42/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.