Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 3/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2182462 | 0.96 | ALDH1A1 (0.38) | CYP2C19ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL2178990 | 0.87 | ALDH1A1 (0.38) | CYP2C19ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL2179191 | 0.85 | ALDH1A1 (0.38) | CYP2C19ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL2183984 | 0.85 | CYP2D6 (0.44) | CYP2C19ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL2184303 | 0.85 | LMNA (0.37) | CYP2C19ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL2181663 | 0.83 | CYP2D6 (0.48) | CYP2C19ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL2179999 | 0.83 | LMNA (0.38) | CYP2C19ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL2181516 | 0.83 | ADORA2A (0.37) | ALDH1A1LMNAJAK2HTTADORA2A | |
| SCHEMBL2182834 | 0.83 | TP53 (0.38) | CYP2C19ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL2182767 | 0.82 | POLB (0.43) | ALDH1A1LMNAADORA2AADORA2BTSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110166144-A1 | Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2011-07-07 | — | — | US | disclosed |
| WO-2010014798-A2 | PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2010-02-04 | — | — | 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-20110166144-A1 | Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same | DPYD, TYMP, DHFR | CYP2C19 381/4885ALDH1A1 245/4885KDM4E 4180/4885 |
“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.