Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 7/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PARG | Q86W56 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2180765 | 0.94 | ALDH1A1 (0.42) | THRBALDH1A1MAPK1GRIN1GRIN2B | |
| SCHEMBL2181371 | 0.90 | ALDH1A1 (0.44) | ALDH1A1MAPK1GRIN1GRIN2BHIF1A | |
| SCHEMBL2183235 | 0.89 | ALDH1A1 (0.42) | ALDH1A1MAPK1GRIN1GRIN2BHIF1A | |
| SCHEMBL2182059 | 0.89 | ALDH1A1 (0.42) | ALDH1A1MAPK1GRIN1GRIN2BHIF1A | |
| SCHEMBL2182256 | 0.88 | PCSK9 (0.42) | ALDH1A1MAPK1GRIN1GRIN2BHIF1A | |
| SCHEMBL2184411 | 0.87 | ALDH1A1 (0.41) | ALDH1A1MAPK1GRIN1GRIN2BHIF1A | |
| SCHEMBL2179044 | 0.87 | HIF1A (0.42) | ALDH1A1MAPK1GRIN1GRIN2BHIF1A | |
| SCHEMBL2184025 | 0.87 | PCSK9 (0.41) | ALDH1A1MAPK1GRIN1GRIN2BHIF1A | |
| SCHEMBL2179603 | 0.86 | ALDH1A1 (0.41) | ALDH1A1MAPK1GRIN1GRIN2BHIF1A | |
| SCHEMBL2181653 | 0.86 | CHRNB2 (0.41) | ALDH1A1MAPK1GRIN1GRIN2BHIF1A |
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 1 patent. 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 |
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 | THRB 2811/4885ALDH1A1 245/4885MAPK1 3843/4885 |
“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.