Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAM | P19021 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Cinnamic Alcohol SCHEMBL1226379 | 1.00 | PAM (0.50) | PAMIDO1ALDH1A1CYP3A4RECQL | |
| Cinnamic Alcohol SCHEMBL8527943 | 0.91 | PAM (0.50) | PAMIDO1ALDH1A1CYP3A4RECQL | |
| Cinnamic Alcohol SCHEMBL39220 | 0.91 | PAM (0.58) | PAMIDO1ALDH1A1CYP3A4RECQL | |
| Cinnamic Alcohol SCHEMBL4175503 | 0.91 | PAM (0.58) | PAMIDO1ALDH1A1CYP3A4RECQL | |
| Cinnamic Alcohol SCHEMBL39219 | 0.91 | PAM (0.58) | PAMIDO1ALDH1A1CYP3A4RECQL | |
| Cinnamic Alcohol SCHEMBL28583889 | 0.91 | PAM (0.58) | PAMIDO1ALDH1A1CYP3A4RECQL | |
| Cinnamic Alcohol SCHEMBL891462 | 0.91 | PAM (0.58) | PAMIDO1ALDH1A1CYP3A4RECQL | |
| Cinnamic Alcohol SCHEMBL5894240 | 0.90 | PAM (0.46) | PAMIDO1ALDH1A1CYP3A4RECQL | |
| Cinnamic Alcohol SCHEMBL5894248 | 0.90 | PAM (0.46) | PAMIDO1ALDH1A1CYP3A4RECQL | |
| Cinnamic Alcohol SCHEMBL28671092 | 0.89 | PAM (0.56) | PAMIDO1ALDH1A1CYP3A4RECQL |
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-114773229-A | 1,6 diene compound and preparation method and application thereof | 南京工业大学 | 2022-07-22 | — | — | CN | claimed |
| CN-110627693-B | Allyl sulfone compound and preparation method and application thereof | 南京工业大学 | 2021-06-04 | — | — | CN | claimed |
| CN-112047842-A | 1, 4-diene compound and preparation method and application thereof | 南京工业大学 | 2020-12-08 | — | — | CN | claimed |
| CN-110627693-A | Allyl sulfone compound and preparation method and application thereof | 南京工业大学 | 2019-12-31 | — | — | CN | claimed |
| CN-114773229-B | 1,6 Diene compound and preparation method and application thereof | 南京工业大学 | 2024-06-14 | — | — | CN | disclosed |
| CN-115490592-A | Method for constructing 1, 4-diene drug molecular skeleton | 南京工业大学 | 2022-12-20 | — | — | CN | disclosed |
| CN-113548965-B | Preparation method of 1,4 eneyne compound | 南京工业大学 | 2022-07-26 | — | — | CN | disclosed |
| CN-114773229-A | 1,6 diene compound and preparation method and application thereof | 南京工业大学 | 2022-07-22 | — | — | CN | disclosed |
| CN-113548965-A | Preparation method of 1, 4-eneyne compound | 南京工业大学 | 2021-10-26 | — | — | CN | disclosed |
| CN-110627693-B | Allyl sulfone compound and preparation method and application thereof | 南京工业大学 | 2021-06-04 | — | — | CN | disclosed |
| CN-110627693-A | Allyl sulfone compound and preparation method and application thereof | 南京工业大学 | 2019-12-31 | — | — | CN | disclosed |
| EP-2459727-A2 | BIOCATALYST FOR CATALYTIC HYDROAMINATION | BASF SE (DE) | 2012-06-06 | — | — | EP | disclosed |
| US-20120123155-A1 | BIOCATALYST FOR CATALYTIC HYDROAMINATION | BASF SE (DE) | 2012-05-17 | — | — | US | disclosed |
| WO-2011012632-A2 | BIOCATALYST FOR CATALYTIC HYDROAMINATION | BASF SE (DE) | 2011-02-03 | — | — | 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-20120123155-A1 | BIOCATALYST FOR CATALYTIC HYDROAMINATION | HDHD5, PAH, GRHPR | PAM 569/4885IDO1 464/4885ALDH1A1 783/4885 |
“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.