Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL149954 | 0.89 | LMNA (0.37) | CYP3A4ALDH1A1LMNACYP1A2CYP2C9 | |
| SCHEMBL1638904 | 0.81 | CYP3A4 (0.46) | CYP3A4ALDH1A1LMNACYP1A1CYP1A2 | |
| SCHEMBL8389325 | 0.74 | LMNA (0.37) | ALDH1A1LMNACES1 | |
| SCHEMBL1411738 | 0.74 | ALDH1A1 (0.42) | CYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL8375530 | 0.69 | CYP2C9 (0.43) | CYP3A4ALDH1A1LMNACYP1A1CYP1A2 | |
| SCHEMBL1063904 | 0.69 | CES1 (0.38) | ALDH1A1CES1 | |
| SCHEMBL8376958 | 0.68 | LMNA (0.37) | CYP3A4LMNACYP1A1CYP1A2CES1 | |
| SCHEMBL13655098 | 0.68 | POLB (0.48) | CYP3A4ALDH1A1LMNA | |
| SCHEMBL154899 | 0.66 | SLC40A1 (0.44) | ALDH1A1LMNA | |
| SCHEMBL197948 | 0.66 | CES1 (0.44) | ALDH1A1CES1 |
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-8269000-B2 | Substituted pyrimidine and triazine compounds | GRUENENTHAL GMBH (DE) | 2012-09-18 | — | — | US | disclosed |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | GRUENENTHAL GMBH (DE) | 2010-07-08 | — | — | 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-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | ADORA2B, CCNB1, TYMS | CYP3A4 1682/4885ALDH1A1 2375/4885LMNA 3222/4885 |
“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.