Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 10/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | TYMP | P19971 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL16461405 | 0.80 | LMNA (0.47) | CYP1A2ALDH1A1KDM4EHTTHSD17B10 | |
| SCHEMBL6894053 | 0.75 | PIK3CD (0.50) | CYP1A2 | |
| SCHEMBL12138044 | 0.74 | RXFP1 (0.52) | CYP2A6CYP3A4CYP1A2ALDH1A1KDM4E | |
| SCHEMBL29912818 | 0.74 | CYP2A6 (0.53) | CYP2A6CYP3A4CYP1A2ALDH1A1KDM4E | |
| SCHEMBL4484319 | 0.74 | CYP2A6 (0.53) | CYP2A6CYP3A4CYP1A2ALDH1A1KDM4E | |
| SCHEMBL16056691 | 0.71 | KDM4E (0.48) | CYP2A6CYP3A4CYP1A2ALDH1A1KDM4E | |
| SCHEMBL30977173 | 0.71 | CYP11B1 (0.50) | CYP2A6CYP3A4CYP1A2ALDH1A1KDM4E | |
| SCHEMBL22233764 | 0.71 | CYP11B1 (0.50) | CYP2A6CYP3A4CYP1A2ALDH1A1KDM4E | |
| SCHEMBL27879628 | 0.71 | RXFP1 (0.46) | CYP2A6CYP3A4CYP1A2ALDH1A1KDM4E | |
| SCHEMBL11965538 | 0.71 | CYP2A6 (0.78) | CYP2A6CYP3A4CYP1A2ALDH1A1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120028952-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-02 | — | — | US | disclosed |
| US-20120028958-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-02 | — | — | US | disclosed |
| WO-2011092198-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-04 | — | — | 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 (2 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-20120028958-A1 | 5-ALKYNYL-PYRIMIDINES | MKI67, CCNA1, CCNT1 | CYP2A6 1066/4885CYP3A4 1080/4885CYP1A2 407/4885 |
| US-20120028952-A1 | 5-ALKYNYL-PYRIMIDINES | MKI67, CCNA1, CCNT1 | CYP2A6 836/4885CYP3A4 1251/4885CYP1A2 325/4885 |
“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.