Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.38 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12391026 | 0.94 | CYP2D6 (0.42) | CYP3A4CYP2D6LTA4HNPC1SMN1; SMN2 | |
| SCHEMBL16885185 | 0.89 | NUDT1 (0.37) | CYP3A4LTA4HNPC1SMN1; SMN2RAB9A | |
| SCHEMBL22576451 | 0.85 | HTT (0.39) | NPC1SMN1; SMN2RAB9AHSD17B10LMNA | |
| SCHEMBL7783352 | 0.81 | MAPK8 (0.46) | CYP3A4CYP2D6NR5A1SOAT1LTA4H | |
| SCHEMBL2016297 | 0.81 | HTT (0.39) | NPC1SMN1; SMN2RAB9AHSD17B10LMNA | |
| SCHEMBL2221308 | 0.80 | KDM4E (0.40) | NPC1SMN1; SMN2RAB9ANUDT1NFKB1 | |
| SCHEMBL6283547 | 0.80 | NUDT1 (0.57) | MCHR1TLR8NUDT1 | |
| SCHEMBL2017242 | 0.79 | TSHR (0.39) | SMN1; SMN2HSD17B10NUDT1TSHR | |
| SCHEMBL1400638 | 0.79 | NUDT1 (0.35) | NUDT1 | |
| SCHEMBL22576250 | 0.79 | MAPT (0.44) | SMN1; SMN2NUDT1 |
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-6734304-B2 | REACTING THE CORRESPONDING 4.6-DIHALOPYRIMIDINE COMPOUND WITH BASE; ONE POT PROCESS | BAYER AKTIENGESELLSCHAFT (DE) | 2004-05-11 | — | — | US | disclosed |
| US-20030092723-A1 | Method for producing asymmetrical 4,6-bis(aryloxy)pyrimidine derivatives | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2003-05-15 | — | — | 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-20030092723-A1 | Method for producing asymmetrical 4,6-bis(aryloxy)pyrimidine derivatives | DPYD, TYMS, TYMP | CYP3A4 43/4885CYP2D6 11/4885NR5A1 3146/4885 |
“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.