Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 6/20 | 0.58 |
| ▸ | HRH4 | Q9H3N8 | 8/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL11002492 | 0.98 | DHFR (0.56) | DHFRHRH4HRH3ALDH1A1LMNA | |
| Acetic Acid SCHEMBL10653160 | 0.92 | DHFR (0.55) | DHFRHRH4HRH3ALDH1A1 | |
| SCHEMBL18154763 | 0.79 | SMN1; SMN2 (0.59) | DHFRHRH4ALDH1A1HRH1 | |
| SCHEMBL10650868 | 0.78 | DHFR (0.61) | DHFRHRH4HRH3KCNH2 | |
| SCHEMBL10650967 | 0.76 | DHFR (0.63) | DHFRHRH4 | |
| SCHEMBL4254224 | 0.76 | DHFR (0.51) | DHFRHRH4ALDH1A1LMNAADRB2 | |
| SCHEMBL605163 | 0.75 | HRH4 (0.55) | HRH4HRH3KCNH2 | |
| SCHEMBL1773673 | 0.75 | HRH4 (0.55) | HRH4HRH3KCNH2 | |
| SCHEMBL5464029 | 0.74 | HRH4 (0.51) | HRH4HRH3KCNH2 | |
| SCHEMBL10653205 | 0.73 | DHFR (0.78) | DHFRALDH1A1LMNA |
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 5 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 | 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 |
| EP-0103464-B1 | DIAMINOPYRIMIDINES AND THEIR PRODUCTION | WARNER-LAMBERT COMPANY (US) | 1988-11-17 | — | — | EP | disclosed |
| US-4532240-A | Antibacterial agents | WARNER-LAMBERT COMPANY (US) | 1985-07-30 | — | — | US | disclosed |
| EP-0103464-A2 | Diaminopyrimidines and their production | WARNER-LAMBERT COMPANY (US) | 1984-03-21 | — | — | EP | 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 | DHFR 81/4885HRH4 2930/4885HRH3 2985/4885 |
“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.