Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.36 |
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 | 1.00 | CCR5 (0.53) | CCR5ALDH1A1HTTRXFP1GAA | |
| SCHEMBL21177435 | 0.84 | CCR5 (0.49) | CCR5ALDH1A1HTTRXFP1GAA | |
| SCHEMBL10604958 | 0.78 | HCRTR1 (0.38) | CCR5ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL17884680 | 0.77 | ALDH1A1 (0.48) | CCR5ALDH1A1GAAKDM4EMEN1 | |
| SCHEMBL4817924 | 0.76 | CYP3A4 (0.47) | ALDH1A1GAAKDM4EKMT2AMAPT | |
| SCHEMBL27896042 | 0.76 | ALDH1A1 (0.51) | CCR5ALDH1A1HTTGAAKDM4E | |
| SCHEMBL1906296 | 0.74 | SMN1; SMN2 (0.41) | CCR5ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL382259 | 0.73 | ALDH1A1 (0.45) | CCR5ALDH1A1HTTRXFP1GAA | |
| SCHEMBL19495078 | 0.73 | CCR5 (0.57) | CCR5ALDH1A1HTTKDM4EMEN1 | |
| SCHEMBL1904647 | 0.72 | BCL2A1 (0.42) | CCR5ALDH1A1HTTGAAMEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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.