Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.43 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | ESRRG | P62508 | 1/20 | 0.40 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31233607 | 0.84 | CCR5 (0.53) | CCR5ALDH1A1HTTRXFP1ALDH1A3 | |
| SCHEMBL21177971 | 0.84 | CCR5 (0.53) | CCR5ALDH1A1HTTRXFP1ALDH1A3 | |
| SCHEMBL26418290 | 0.82 | ALDH1A3 (0.42) | CCR5ALDH1A1ALDH1A3ALDH3A1ESRRG | |
| SCHEMBL382259 | 0.78 | ALDH1A1 (0.45) | CCR5ALDH1A1HTTRXFP1ALDH1A3 | |
| SCHEMBL6726449 | 0.77 | ALDH1A1 (0.44) | CCR5ALDH1A1PYCR1GAAMEN1 | |
| SCHEMBL18279462 | 0.76 | ESRRG (0.49) | CCR5ALDH1A3ALDH3A1ESRRGNR1H2 | |
| SCHEMBL21208580 | 0.76 | ALDH1A3 (0.41) | CCR5ALDH1A1HTTALDH1A3ALDH3A1 | |
| SCHEMBL5950905 | 0.76 | CYP3A4 (0.47) | ALDH1A1ALDH1A3ALDH3A1ESRRGNR1H2 | |
| SCHEMBL382103 | 0.76 | ALDH1A3 (0.47) | CCR5ALDH1A1HTTRXFP1ALDH1A3 | |
| SCHEMBL17047670 | 0.76 | S100B (0.44) | CCR5ALDH1A1HTTRXFP1ALDH1A3 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118754861-A | Substituted alkynylene compounds as anticancer agents | 奥里吉恩肿瘤学有限公司 | 2024-10-11 | — | — | CN | disclosed |
| US-20230210847-A1 | Substituted Alkynylene Compounds As Anticancer Agents | AURIGENE ONCOLOGY LTD (IN) | 2023-07-06 | — | — | US | disclosed |
| US-20230210847-A1 | Substituted Alkynylene Compounds As Anticancer Agents | AURIGENE ONCOLOGY LTD (IN) | 2023-07-06 | — | — | US | disclosed |
| US-20230210847-A1 | Substituted Alkynylene Compounds As Anticancer Agents | AURIGENE ONCOLOGY LTD (IN) | 2023-07-06 | — | — | US | disclosed |
| US-11633394-B2 | Substituted alkynylene compounds as anticancer agents | AURIGENE ONCOLOGY LIMITED (IN) | 2023-04-25 | — | — | US | disclosed |
| US-20210379055-A1 | Substituted Alkynylene Compounds As Anticancer Agents | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2021-12-09 | — | — | US | disclosed |
| US-20210379055-A1 | Substituted Alkynylene Compounds As Anticancer Agents | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2021-12-09 | — | — | US | disclosed |
| EP-3740473-A1 | SUBSTITUTED ALKYNYLENE COMPOUNDS AS ANTICANCER AGENTS | Aurigene Discovery Technologies Limited (IN) | 2020-11-25 | — | — | EP | disclosed |
| WO-2019142126-A1 | SUBSTITUTED ALKYNYLENE COMPOUNDS AS ANTICANCER AGENTS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2019-07-25 | — | — | WO | disclosed |
| WO-2019142126-A1 | SUBSTITUTED ALKYNYLENE COMPOUNDS AS ANTICANCER AGENTS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 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 (3 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-20230210847-A1 | Substituted Alkynylene Compounds As Anticancer Agents | MCL1, ROS1, MKI67 | CCR5 1604/4885ALDH1A1 25/4885HTT 3392/4885 |
| US-20210379055-A1 | Substituted Alkynylene Compounds As Anticancer Agents | MCL1, ROS1, MKI67 | CCR5 1604/4885ALDH1A1 25/4885HTT 3392/4885 |
| US-11633394-B2 | Substituted alkynylene compounds as anticancer agents | MCL1, ROS1, MKI67 | CCR5 1604/4885ALDH1A1 25/4885HTT 3392/4885 |
“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.