Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2181923 | 0.95 | HSD17B10 (0.45) | ALDH1A1HSD17B10CASP1CASP7POLB | |
| SCHEMBL2181518 | 0.91 | SCN5A (0.42) | ALDH1A1HSD17B10CYP3A4TSHRKDM4E | |
| SCHEMBL2183385 | 0.86 | POLB (0.48) | ALDH1A1HSD17B10CASP1CASP7POLB | |
| SCHEMBL2181996 | 0.86 | SIGMAR1 (0.41) | ALDH1A1HSD17B10CASP1CASP7CYP3A4 | |
| SCHEMBL2183693 | 0.85 | TSHR (0.49) | ALDH1A1HSD17B10CASP1CASP7CYP2D6 | |
| SCHEMBL2182311 | 0.85 | DCTPP1 (0.35) | HSD17B10POLBTSHRTP53HTT | |
| SCHEMBL3262395 | 0.84 | DCTPP1 (0.34) | HSD17B10POLBTSHRTP53HTT | |
| SCHEMBL2182871 | 0.84 | DCTPP1 (0.34) | HSD17B10POLBTSHRTP53HTT | |
| SCHEMBL2180739 | 0.84 | POLB (0.53) | ALDH1A1HSD17B10POLBCYP3A4CYP2C19 | |
| SCHEMBL2181237 | 0.83 | HSD17B10 (0.47) | ALDH1A1HSD17B10CASP1CASP7POLB |
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 | ALDH1A1 245/4885HSD17B10 962/4885CASP1 2584/4885 |
“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.