Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | LPL | P06858 | 2/20 | 0.39 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.32 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29774687 | 1.00 | ALDH1A1 (0.44) | ALDH1A1KDM4ENPSR1HPGDLPL | |
| SCHEMBL22229708 | 0.85 | LPL (0.35) | ALDH1A1KDM4ENPSR1HPGDLPL | |
| SCHEMBL5783702 | 0.79 | LPL (0.41) | ALDH1A1KDM4EHPGDLPLLIPG | |
| SCHEMBL734336 | 0.78 | LPL (0.45) | ALDH1A1HPGDLPLLIPGMAPT | |
| SCHEMBL5781277 | 0.78 | LPL (0.43) | ALDH1A1KDM4EHPGDLPLLIPG | |
| SCHEMBL29478978 | 0.78 | LPL (0.43) | ALDH1A1KDM4EHPGDLPLLIPG | |
| SCHEMBL17487163 | 0.76 | MAOA (0.38) | ALDH1A1KDM4EHPGDLPLLIPG | |
| SCHEMBL21190463 | 0.75 | LPL (0.46) | ALDH1A1KDM4EHPGDLPLLIPG | |
| SCHEMBL22555220 | 0.74 | LPL (0.42) | ALDH1A1LPLLIPGEGFRGPR84 | |
| SCHEMBL30065462 | 0.74 | LPL (0.42) | ALDH1A1LPLLIPGEGFRGPR84 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11664093-B2 | Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-05-30 | — | — | US | disclosed |
| US-20210017110-A1 | POLYCYCLIC AROMATIC COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME | Board of Regents of the Nevada System Higher Education, on behalf of the University of Nevada, Reno (US) | 2021-01-21 | — | — | US | disclosed |
| US-20200234798-A1 | EXTRAPOLATIVE PREDICTION OF ENANTIOSELECTIVITY ENABLED BY COMPUTER-DRIVEN WORKFLOW, NEW MOLECULAR REPRESENTATIONS AND MACHINE LEARNING | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2020-07-23 | — | — | US | disclosed |
| WO-2019173243-A1 | POLYCYCLIC AROMATIC COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME | BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) | 2019-09-12 | — | — | 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-20210017110-A1 | POLYCYCLIC AROMATIC COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME | AHR, PAH, ALKBH3 | ALDH1A1 327/4885KDM4E 660/4885NPSR1 740/4885 |
“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.