Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 7/20 | 0.51 |
| ▸ | HEXB | P07686 | 7/20 | 0.51 |
| ▸ | DHFR | P00374 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL12138095 | 0.87 | DHFR (0.52) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL12137902 | 0.82 | DHFR (0.48) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL12137726 | 0.82 | AKT1 (0.40) | KMT2APDE4D | |
| SCHEMBL11865720 | 0.80 | HEXA (0.77) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL6896549 | 0.78 | PIK3CA (0.44) | PDE4D | |
| SCHEMBL6358009 | 0.73 | GHSR (0.61) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL1358223 | 0.73 | MTOR (0.52) | CYP1A2 | |
| SCHEMBL12137700 | 0.72 | PIK3CA (0.45) | HEXAHEXBDHFR | |
| SCHEMBL14652575 | 0.72 | PIK3CA (0.50) | GHSR | |
| SCHEMBL24257158 | 0.70 | HEXA (0.74) | HEXAHEXBDHFRMEN1SLC22A1 |
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-20110281838-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-17 | — | — | US | disclosed |
| WO-2010012740-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 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-20110281838-A1 | 5-ALKYNYL-PYRIMIDINES | MKI67, CCNA1, CCNT1 | HEXA 4092/4885HEXB 3900/4885DHFR 11/4885 |
“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.