Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CCR6 | P51684 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28596601 | 0.77 | ALDH1A1 (0.47) | SIRT1ALDH1A1MAPTPPARG | |
| SCHEMBL29629334 | 0.77 | ALDH1A1 (0.47) | SIRT1ALDH1A1MAPTPPARG | |
| SCHEMBL28596603 | 0.77 | ALDH1A1 (0.47) | SIRT1ALDH1A1MAPTPPARG | |
| SCHEMBL754483 | 0.77 | AR (0.46) | SIRT1AKR1C3ALDH1A1KLK5GAA | |
| SCHEMBL2848169 | 0.75 | TP53 (0.42) | SIRT1ALDH1A1KLK5MAPTSMN1; SMN2 | |
| SCHEMBL27893072 | 0.74 | SIRT1 (0.48) | SIRT1ALDH1A1KLK5GAAPPARG | |
| SCHEMBL72984 | 0.74 | SIRT1 (0.48) | SIRT1ALDH1A1KLK5GAAPPARG | |
| SCHEMBL11527078 | 0.73 | PPARG (0.57) | SIRT1ALDH1A1KLK5GAAMAPT | |
| Charcoal, Activated SCHEMBL2025121 | 0.72 | SIRT1 (0.47) | SIRT1ALDH1A1KLK5GAAPPARG | |
| SCHEMBL2992253 | 0.69 | KLK5 (0.52) | SIRT1ALDH1A1KLK5GAAMAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2344462-B1 | PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE | UNIV DUNDEE (GB) | 2016-05-18 | — | — | EP | disclosed |
| US-8563557-B2 | Pyrimidine derivatives and their pharmaceutical use | UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) | 2013-10-22 | — | — | US | disclosed |
| US-20110245282-A1 | Compounds | University Court of the University of Dundee University Court of the University of St. Andrews | 2011-10-06 | — | — | US | disclosed |
| EP-2344462-A1 | PYRIMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE | The University Court of the University of Dundee (GB) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010038043-A1 | PYRIMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE | THE UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) | 2010-04-08 | — | — | 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-20110245282-A1 | Compounds | NAT1, AR, ARSA | CYP2C9 78/4885SIRT1 1567/4885AKR1C3 218/4885 |
“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.