Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.54 |
| ▸ | SNCA | P37840 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 4/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30107706 | 0.81 | CYP3A4 (0.55) | ALDH1A1HSD17B10KDM4EHPGDSNCA | |
| SCHEMBL429872 | 0.81 | CYP3A4 (0.55) | ALDH1A1HSD17B10KDM4EHPGDSNCA | |
| SCHEMBL827892 | 0.81 | ALDH1A1 (0.58) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| SCHEMBL8387112 | 0.81 | NLRP3 (0.45) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| SCHEMBL17386426 | 0.80 | CYP3A4 (0.53) | ALDH1A1HSD17B10KDM4EHPGDSNCA | |
| SCHEMBL29012860 | 0.79 | ALDH1A1 (0.57) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| SCHEMBL27683925 | 0.78 | ALDH1A1 (0.55) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| SCHEMBL28756834 | 0.77 | ESR1 (0.55) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| SCHEMBL7908275 | 0.76 | ALDH1A1 (0.56) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| SCHEMBL5135053 | 0.76 | SNCA (0.49) | ALDH1A1HSD17B10KDM4EHPGDSNCA |
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-9315490-B2 | 2,5-substituted pyrimidines | GRUENENTHAL GMBH (DE) | 2016-04-19 | — | — | US | disclosed |
| US-20160024053-A1 | Novel 2,5-Substituted Pyrimidines | GRUENENTHAL GMBH (DE) | 2016-01-28 | — | — | 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-20160024053-A1 | Novel 2,5-Substituted Pyrimidines | PDE4B, PDE4A, PDE12 | ALDH1A1 337/4885HSD17B10 1237/4885KDM4E 1006/4885 |
“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.