Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.37 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.37 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1148 | 0.82 | TSHR (0.61) | TSHRTP53ESR1ESR2CYP2C9 | |
| SCHEMBL29487262 | 0.82 | TSHR (0.61) | TSHRTP53ESR1ESR2CYP2C9 | |
| SCHEMBL5872655 | 0.80 | TSHR (0.63) | TSHRTP53MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL112939 | 0.79 | TSHR (0.58) | TSHRTP53ESR1ESR2CYP2C9 | |
| SCHEMBL11479345 | 0.79 | TSHR (0.58) | TSHRTP53ESR1ESR2CYP2C9 | |
| SCHEMBL31412811 | 0.78 | TSHR (0.66) | TSHRTP53ESR1CYP2C9NFKB1 | |
| SCHEMBL225582 | 0.78 | TSHR (0.66) | TSHRTP53ESR1CYP2C9NFKB1 | |
| 2-Methylpentanal SCHEMBL4778956 | 0.77 | TSHR (0.51) | TSHRTP53ESR1ESR2CYP2C9 | |
| SCHEMBL3642689 | 0.77 | TP53 (0.59) | TSHRTP53NPC1RAB9AMAPT | |
| P-Cymene SCHEMBL23296191 | 0.76 | TP53 (0.54) | TSHRTP53ESR1CYP2C9NFKB1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112898202-B | Heterocyclyl cyclopropane compound and synthesis method thereof | 中国科学院上海有机化学研究所 | 2022-11-22 | — | — | CN | claimed |
| CN-112898202-A | Heterocyclyl cyclopropane compound and synthesis method thereof | 中国科学院上海有机化学研究所 | 2021-06-04 | — | — | CN | claimed |
| CN-112689635-A | 1, 7-naphthyridine derivative and preparation method and application thereof | 石药集团中奇制药技术（石家庄）有限公司 | 2021-04-20 | — | — | CN | claimed |
| CN-110878096-A | 1, 7-naphthyridine derivative and preparation method and application thereof | 石药集团中奇制药技术（石家庄）有限公司 | 2020-03-13 | — | — | CN | claimed |
| WO-2000001422-A1 | FRAGRANCE DISPERSION | UNIVERSITY OF SOUTHAMPTON (GB) | 2000-01-13 | — | — | WO | claimed |
| CN-115160380-B | Compound capable of controlling CO release rate and preparation method thereof | 西安交通大学医学院第一附属医院 | 2024-06-21 | — | — | CN | disclosed |
| CN-112898202-B | Heterocyclyl cyclopropane compound and synthesis method thereof | 中国科学院上海有机化学研究所 | 2022-11-22 | — | — | CN | disclosed |
| CN-112898202-A | Heterocyclyl cyclopropane compound and synthesis method thereof | 中国科学院上海有机化学研究所 | 2021-06-04 | — | — | CN | disclosed |
| CN-112689635-A | 1, 7-naphthyridine derivative and preparation method and application thereof | 石药集团中奇制药技术（石家庄）有限公司 | 2021-04-20 | — | — | CN | disclosed |
| CN-110878096-A | 1, 7-naphthyridine derivative and preparation method and application thereof | 石药集团中奇制药技术（石家庄）有限公司 | 2020-03-13 | — | — | CN | disclosed |
| US-6894067-B2 | 5-heteroatom-substituted pyrazoles | PFIZER, INC. (US) | 2005-05-17 | — | — | US | disclosed |
| EP-1308445-B1 | 5-heteroatom-substituted pyrazoles | PFIZER PROD INC (US) | 2004-12-22 | — | — | EP | disclosed |
| US-20030134858-A1 | 5-Heteroatom-substituted pyrazoles | MINICH MARTHA L (US) | 2003-07-17 | — | — | US | disclosed |
| EP-1308445-A1 | 5-heteroatom-substituted pyrazoles | Pfizer Products Inc. (US) | 2003-05-07 | — | — | EP | disclosed |
| EP-0052775-B1 | PROCESS FOR THE PRODUCTION OF ALDEHYDES AND INTERMEDIATE PRODUCTS | L. GIVAUDAN & CIE Société Anonyme (CH) | 1985-05-02 | — | — | EP | disclosed |
| US-4508925-A | 3-Phenyl-propionaldehydes | GIVAUDAN CORPORATION (US) | 1985-04-02 | — | — | US | disclosed |
| US-4435585-A | Process for the preparation of dihydrocinnamaldehyde derivatives | GIVAUDAN CORPORATION (US) | 1984-03-06 | — | — | US | disclosed |
| US-4389527-A | Process for the preparation of dihydrocinnamaldehyde derivatives | GIVAUDAN CORPORATION (US) | 1983-06-21 | — | — | US | disclosed |
| EP-0052775-A2 | Process for the production of aldehydes and intermediate products | L. GIVAUDAN & CIE Société Anonyme (CH) | 1982-06-02 | — | — | 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 (1 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-20030134858-A1 | 5-Heteroatom-substituted pyrazoles | IL5, CYP1B1, IL1R1 | TSHR 1692/4885TP53 120/4885ESR1 1919/4885 |
“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.