Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.70 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8195390 | 0.84 | TP53 (0.51) | CYP3A4SMN1; SMN2LMNAALDH1A1KMT2A | |
| SCHEMBL7591412 | 0.84 | TP53 (0.51) | CYP3A4SMN1; SMN2LMNAALDH1A1KMT2A | |
| Nitromide SCHEMBL193674 | 0.83 | CYP3A4 (1.00) | CYP3A4SMN1; SMN2TSHRLMNAGAA | |
| SCHEMBL3087777 | 0.83 | CYP3A4 (0.91) | CYP3A4SMN1; SMN2TSHRLMNAGAA | |
| Nitromide SCHEMBL17803670 | 0.81 | CYP3A4 (0.96) | CYP3A4SMN1; SMN2TSHRLMNAGAA | |
| SCHEMBL716259 | 0.81 | CYP19A1 (0.54) | CYP3A4SMN1; SMN2TSHRLMNAALDH1A1 | |
| SCHEMBL561018 | 0.81 | CYP19A1 (0.48) | CYP3A4SMN1; SMN2TSHRLMNAALDH1A1 | |
| SCHEMBL20819298 | 0.81 | CYP3A4 (0.62) | CYP3A4SMN1; SMN2TSHRLMNAGAA | |
| SCHEMBL935580 | 0.80 | HTT (0.56) | SMN1; SMN2GAAALDH1A1NPC1KMT2A | |
| SCHEMBL6163099 | 0.79 | PRSS1 (0.42) | CYP3A4SMN1; SMN2TSHRPOLBCYP2C19 |
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-20110046108-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2011-02-24 | — | — | US | disclosed |
| US-20110046108-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2011-02-24 | — | — | US | disclosed |
| US-20110046108-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2011-02-24 | — | — | 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-20110046108-A1 | PYRIMIDINE DERIVATIVES | EPHB4, EPHB1, EPHB3 | CYP3A4 1160/4885SMN1; SMN2 3091/4885TSHR 2112/4885 |
“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.