Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10589627 | 0.94 | — | — | |
| SCHEMBL2539239 | 0.79 | GRM4 (0.40) | PTPN1HPGDHDAC8HDAC6LMNA | |
| SCHEMBL2539796 | 0.78 | GRM4 (0.39) | ALDH1A1CYP1A2CYP2C19PTPN1HPGD | |
| SCHEMBL2541191 | 0.78 | GRM4 (0.39) | ALDH1A1CYP1A2CYP2C19PTPN1HPGD | |
| SCHEMBL2531872 | 0.76 | — | — | |
| SCHEMBL2535485 | 0.74 | EPHX1 (0.37) | PTPN1HPGDLMNANPSR1MEN1 | |
| SCHEMBL2536084 | 0.74 | EPHX1 (0.37) | PTPN1HPGDLMNANPSR1MEN1 | |
| SCHEMBL13958914 | 0.73 | RAB9A (0.31) | ALDH1A1MEN1KMT2A | |
| SCHEMBL1864575 | 0.73 | — | — | |
| SCHEMBL1864577 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040006042-A1 | Diaminopyrimidines and combination therapies effective for treatment of P-glycoprotein positive cancers | BERRY DAVID ALLEN (US) | 2004-01-08 | — | — | US | claimed |
| WO-2000009131-A1 | DIAMINOPYRIMIDINES AND COMBINATION THERAPIES EFFECTIVE FOR TREATMENT OF P-GLYCOPROTEIN POSITIVE CANCERS | WARNER-LAMBERT COMPANY (US) | 2000-02-24 | — | — | WO | claimed |
| US-20040006042-A1 | Diaminopyrimidines and combination therapies effective for treatment of P-glycoprotein positive cancers | BERRY DAVID ALLEN (US) | 2004-01-08 | — | — | US | disclosed |
| WO-2000009131-A1 | DIAMINOPYRIMIDINES AND COMBINATION THERAPIES EFFECTIVE FOR TREATMENT OF P-GLYCOPROTEIN POSITIVE CANCERS | WARNER-LAMBERT COMPANY (US) | 2000-02-24 | — | — | 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-20040006042-A1 | Diaminopyrimidines and combination therapies effective for treatment of P-glycoprotein positive cancers | ABCB1, ABCC1, DPYD | ALDH1A1 271/4885CYP1A2 962/4885CYP3A4 945/4885 |
“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.