Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.62 |
| ▸ | AHR | P35869 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | PKM | P14618 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL2180606 | 1.00 | ALDH1A1 (0.62) | ALDH1A1HPGDNR1I2AHRLMNA | |
| SCHEMBL2179902 | 0.89 | ALDH1A1 (0.78) | ALDH1A1HPGDNR1I2AHRLMNA | |
| SCHEMBL2179900 | 0.89 | ALDH1A1 (0.78) | ALDH1A1HPGDNR1I2AHRLMNA | |
| SCHEMBL2182166 | 0.86 | ALDH1A1 (0.62) | ALDH1A1HPGDNR1I2AHRLMNA | |
| SCHEMBL2182167 | 0.86 | ALDH1A1 (0.62) | ALDH1A1HPGDNR1I2AHRLMNA | |
| SCHEMBL2182041 | 0.84 | ALDH1A1 (0.60) | ALDH1A1HPGDNR1I2AHRLMNA | |
| SCHEMBL2182037 | 0.84 | ALDH1A1 (0.60) | ALDH1A1HPGDNR1I2AHRLMNA | |
| SCHEMBL2179033 | 0.83 | KDM4E (0.70) | ALDH1A1HPGDNR1I2AHRLMNA | |
| SCHEMBL2179029 | 0.83 | KDM4E (0.70) | ALDH1A1HPGDNR1I2AHRLMNA | |
| SCHEMBL2182930 | 0.83 | ALDH1A1 (0.59) | ALDH1A1HPGDNR1I2AHRLMNA |
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 | ALDH1A1 245/4885HPGD 237/4885NR1I2 2608/4885 |
“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.