Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Propylene Glycol SCHEMBL5804824 | 0.85 | TDP1 (0.59) | TDP1ALDH1A1TSHRFFAR3TRPA1 | |
| Isobutanol SCHEMBL9949954 | 0.84 | TSHR (0.60) | TDP1ALDH1A1TSHR | |
| Isobutanol SCHEMBL7549673 | 0.84 | TSHR (0.60) | TDP1ALDH1A1TSHRTRPA1 | |
| Isobutanol SCHEMBL8909738 | 0.83 | — | — | |
| Propylene Glycol SCHEMBL28820720 | 0.82 | TDP1 (0.56) | TDP1ALDH1A1TSHRFFAR3TRPA1 | |
| Isobutanol SCHEMBL11138179 | 0.81 | FFAR3 (0.62) | TDP1ALDH1A1TSHRFFAR3 | |
| Butanone SCHEMBL28158094 | 0.81 | ALDH1A1 (0.62) | TDP1ALDH1A1TSHRFFAR3TRPA1 | |
| Isobutanol SCHEMBL10277757 | 0.80 | — | — | |
| Isobutanol SCHEMBL27702082 | 0.80 | TSHR (0.64) | TDP1ALDH1A1TSHRFFAR3 | |
| Butanone SCHEMBL457538 | 0.80 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108367026-A | Antimicrobial formulations | 常规制药股份公司 | 2018-08-03 | — | — | CN | claimed |
| EP-3434677-B1 | POLYMORPHS OF DPPIV INHIBITOR MALEATE AND PREPARATION METHOD THEREFOR | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2023-05-03 | — | — | EP | disclosed |
| CN-105985353-B | Crystal form A of compound and preparation method thereof | 中国科学院上海药物研究所 | 2020-07-21 | — | — | CN | disclosed |
| US-10640514-B2 | Polymorph of DPPIV inhibitor maleate and preparation method therefor | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2020-05-05 | — | — | US | disclosed |
| EP-3257856-B1 | CRYSTAL FORM A OF COMPOUND AND PREPARATION METHOD THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2020-04-08 | — | — | EP | disclosed |
| US-10392401-B2 | Crystal form A of compound and preparation method thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2019-08-27 | — | — | US | disclosed |
| US-20190100529-A1 | POLYMORPH OF DPPIV INHIBITOR MALEATE AND PREPARATION METHOD THEREFOR | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2019-04-04 | — | — | US | disclosed |
| EP-3434677-A1 | POLYMORPH OF DPPIV INHIBITOR MALEATE AND PREPARATION METHOD THEREFOR | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2019-01-30 | — | — | EP | disclosed |
| US-20180030066-A1 | CRYSTAL FORM A OF COMPOUND AND PREPARATION METHOD THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2018-02-01 | — | — | US | disclosed |
| EP-3257856-A1 | CRYSTAL FORM A OF COMPOUND AND PREPARATION METHOD THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2017-12-20 | — | — | EP | disclosed |
| CN-107216339-A | A kind of polymorphic of DPPIV inhibitor maleate and preparation method thereof | 中国科学院上海药物研究所 | 2017-09-29 | — | — | CN | disclosed |
| CN-105985353-A | Crystal form A of compound and preparation method thereof | 中国科学院上海药物研究所 | 2016-10-05 | — | — | CN | disclosed |
| US-4564579-A | HALOGENATED OR ESTERIFIED PHENYLPOLYSILOXANE | NIPPON TELEGRAPH & TELEPHONE PUBLIC CORPORATION (JP) | 1986-01-14 | — | — | US | disclosed |
| US-4507384-A | POLYSILOXANES CONTAINING PHENYL GROUPS | NIPPON TELEGRAPH & TELEPHONE PUBLIC CORPORATION (JP) | 1985-03-26 | — | — | US | 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 (4 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-10640514-B2 | Polymorph of DPPIV inhibitor maleate and preparation method therefor | DPP4, SLC5A1, DPP3 | TDP1 1708/4885ALDH1A1 456/4885TSHR 4207/4885 |
| US-10392401-B2 | Crystal form A of compound and preparation method thereof | IAPP, SLC5A2, SLC5A1 | TDP1 4343/4885ALDH1A1 2912/4885TSHR 3895/4885 |
| US-20190100529-A1 | POLYMORPH OF DPPIV INHIBITOR MALEATE AND PREPARATION METHOD THEREFOR | DPP4, SLC5A1, DPP3 | TDP1 1708/4885ALDH1A1 456/4885TSHR 4207/4885 |
| US-20180030066-A1 | CRYSTAL FORM A OF COMPOUND AND PREPARATION METHOD THEREOF | IAPP, SLC5A2, SLC5A1 | TDP1 4343/4885ALDH1A1 2912/4885TSHR 3895/4885 |
“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.