Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.52 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 3/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | REN | P00797 | 2/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29783549 | 1.00 | AHR (0.52) | AHRPDPK1BCHEKEAP1CYP1A2 | |
| SCHEMBL2611040 | 0.84 | AHR (0.50) | AHRPDPK1BCHEKEAP1CYP1A2 | |
| SCHEMBL2260871 | 0.81 | AHR (0.47) | AHRPDPK1BCHEKEAP1CYP1A2 | |
| SCHEMBL1251800 | 0.78 | AHR (0.44) | AHRPDPK1BCHEKEAP1CYP2D6 | |
| SCHEMBL3794702 | 0.78 | TSHR (0.44) | AHRPDPK1BCHEKEAP1NR3C1 | |
| SCHEMBL17871986 | 0.77 | AHR (0.43) | AHRPDPK1BCHEKEAP1NR3C1 | |
| SCHEMBL25474389 | 0.74 | BCHE (0.43) | AHRPDPK1BCHEKEAP1CYP2D6 | |
| SCHEMBL5154962 | 0.74 | NR3C1 (0.46) | AHRPDPK1BCHEKEAP1NR3C1 | |
| SCHEMBL6029505 | 0.73 | AHR (0.43) | AHRPDPK1BCHEKEAP1NR3C1 | |
| SCHEMBL22559186 | 0.73 | CA12 (0.51) | CYP1A2CYP3A4CYP2D6NFKB1PNMT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240166598-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THE SAME | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2024-05-23 | — | — | US | disclosed |
| WO-2022169891-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THE SAME | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2022-08-11 | — | — | WO | disclosed |
| US-20100279936-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2010-11-04 | — | — | US | disclosed |
| CN-101516360-A | Substituted acetylenic compounds useful for the treatment of diseases | LEO PHARMA AS (DK) | 2009-08-26 | — | — | CN | disclosed |
| EP-2061449-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | Leo Pharma A/S (DK) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008019690-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2008-02-21 | — | — | 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 (2 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-20100279936-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | C1R, C3AR1, PTH1R | AHR 1787/4885PDPK1 4055/4885BCHE 375/4885 |
| US-20240166598-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THE SAME | SARS1, ACE, PLPBP | AHR 2275/4885PDPK1 2835/4885BCHE 141/4885 |
“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.