Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 4/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL321882 | 0.75 | TDP1 (0.50) | TDP1CYP3A4IDO1ESR1ESR2 | |
| SCHEMBL9288104 | 0.73 | TDP1 (0.47) | TDP1CYP3A4IDO1ESR1ESR2 | |
| SCHEMBL3696725 | 0.71 | TDP1 (0.45) | TDP1CYP3A4ESR1ESR2HSD17B10 | |
| SCHEMBL4203004 | 0.69 | CYP3A4 (0.43) | TDP1CYP3A4IDO1ESR1ESR2 | |
| SCHEMBL8509350 | 0.69 | ALDH1A1 (0.43) | TDP1CYP3A4IDO1ESR1ESR2 | |
| SCHEMBL2155415 | 0.67 | KCNN4 (0.44) | TDP1CYP3A4ESR1ESR2MAPT | |
| Iodide SCHEMBL8511392 | 0.67 | ALDH1A1 (0.41) | TDP1CYP3A4IDO1ESR1ESR2 | |
| SCHEMBL31606955 | 0.67 | CYP3A4 (0.41) | TDP1CYP3A4ESR1ESR2TSHR | |
| Propane SCHEMBL2359635 | 0.67 | CYP3A4 (0.41) | TDP1CYP3A4ESR1ESR2ALOX15 | |
| SCHEMBL23901384 | 0.66 | ALOX15 (0.52) | TDP1CYP3A4IDO1HDAC8HDAC6 |
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-113735850-A | Synthesis method of 1,2, 4-triazole compound | 河南师范大学 | 2021-12-03 | — | — | CN | claimed |
| CN-108047156-B | 5-methylmorpholine-3-amino-2-oxazolidinyl ketone antigen with spiro structure, antibody, preparation and application | 华南农业大学 | 2020-08-07 | — | — | CN | claimed |
| WO-2024077650-A1 | SALT FORM OF COMPOUND HAVING SUBSTITUTED SULFONYLUREA RING AND CRYSTAL FORM THEREOF | 苏州二叶制药有限公司 | 2024-04-18 | — | — | WO | disclosed |
| CN-115698011-B | PB2 inhibitor and preparation method and application thereof | 四川海思科制药有限公司 | 2023-10-20 | — | — | CN | disclosed |
| US-20230192691-A1 | HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS | BEIJING INNOCARE PHARMA TECH CO LTD (CN) | 2023-06-22 | — | — | US | disclosed |
| CN-115698011-A | PB2 inhibitor and preparation method and application thereof | 四川海思科制药有限公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-111393459-B | SHP2 inhibitor and application thereof | 南京安纳康生物科技有限公司 | 2022-07-22 | — | — | CN | disclosed |
| WO-2022037649-A1 | HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS | BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) | 2022-02-24 | — | — | WO | disclosed |
| CN-113735850-A | Synthesis method of 1,2, 4-triazole compound | 河南师范大学 | 2021-12-03 | — | — | CN | disclosed |
| WO-2020239096-A1 | ANTIBACTERIAL AMINOGLYCOSIDE DERIVATIVES | 南京明德新药研发有限公司 | 2020-12-03 | — | — | WO | disclosed |
| WO-2019141131-A1 | BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF | 中国科学院上海药物研究所 | 2019-07-25 | — | — | WO | 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-20230192691-A1 | HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS | BTK, SYK, LYN | TDP1 528/4885CYP3A4 2261/4885IDO1 1075/4885 |
“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.