Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.46 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | PPARG | P37231 | 3/20 | 0.44 |
| ▸ | OXER1 | Q8TDS5 | 3/20 | 0.44 |
| ▸ | RXRA | P19793 | 2/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL7176194 | 1.00 | CA2 (0.52) | CA2MAPK1GRIK1GRIK2ALDH1A1 | |
| SCHEMBL1705894 | 1.00 | CA2 (0.52) | CA2MAPK1GRIK1GRIK2ALDH1A1 | |
| SCHEMBL14767918 | 0.94 | ALDH1A1 (0.53) | CA2MAPK1GRIK1GRIK2ALDH1A1 | |
| SCHEMBL14767917 | 0.94 | ALDH1A1 (0.53) | CA2MAPK1GRIK1GRIK2ALDH1A1 | |
| SCHEMBL2230009 | 0.94 | ALDH1A1 (0.53) | CA2MAPK1GRIK1GRIK2ALDH1A1 | |
| SCHEMBL30106406 | 0.94 | ALDH1A1 (0.53) | CA2MAPK1GRIK1GRIK2ALDH1A1 | |
| Butyric Acid SCHEMBL29786834 | 0.89 | ALDH1A1 (0.49) | CA2MAPK1ALDH1A1CYP19A1MAPT | |
| SCHEMBL1027173 | 0.88 | CA2 (0.59) | CA2MAPK1GRIK1GRIK2ALDH1A1 | |
| SCHEMBL4683751 | 0.88 | CA2 (0.59) | CA2MAPK1GRIK1GRIK2ALDH1A1 | |
| SCHEMBL9894412 | 0.88 | CA2 (0.57) | CA2MAPK1GRIK1GRIK2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5929094-A | NOVEL 3-((SUBSTITUTED) HETEROCYCLE),6-(SUBSTITUTED PHENYL)-1-OXASPIRO(4.4)NONANE DERIVATIVES; ANTAGONIZING THE EFFECT OF SUBSTANCE P BY ADMINISTERING TO BLOCK NEUROKININ-1 RECEPTORS; TREATING INFLAMMATION, MIGRAINE, EMESIS AND ASTHMA | MERCK & CO., INC. (US) | 1999-07-27 | — | — | US | claimed |
| CN-117898139-A | Application of exogenous spray theanine in improving yield and quality of yellow tea | 安徽农业大学 | 2024-04-19 | — | — | CN | disclosed |
| WO-2023216237-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS, AND METHODS OF USE THEREOF | JS INNOMED HOLDINGS LTD. (KY) | 2023-11-16 | — | — | WO | disclosed |
| CN-107921034-B | Method of wound healing | 康内克斯生命科学私人有限公司 | 2021-11-23 | — | — | CN | disclosed |
| WO-2020248972-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | JS INNOPHARM (SHANGHAI) LTD (CN) | 2020-12-17 | — | — | WO | disclosed |
| US-5929094-A | NOVEL 3-((SUBSTITUTED) HETEROCYCLE),6-(SUBSTITUTED PHENYL)-1-OXASPIRO(4.4)NONANE DERIVATIVES; ANTAGONIZING THE EFFECT OF SUBSTANCE P BY ADMINISTERING TO BLOCK NEUROKININ-1 RECEPTORS; TREATING INFLAMMATION, MIGRAINE, EMESIS AND ASTHMA | MERCK & CO., INC. (US) | 1999-07-27 | — | — | US | disclosed |
| US-5877191-A | ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIHISTAMINES; EMESIS | MERCK & CO., INC. (US) | 1999-03-02 | — | — | US | disclosed |