Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 9/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6697987 | 0.88 | DHFR (0.65) | DHFRADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL10651377 | 0.84 | DHFR (0.43) | DHFRADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL6701535 | 0.84 | DHFR (0.68) | DHFRALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL6699085 | 0.84 | DHFR (0.72) | DHFRALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL10649234 | 0.83 | DHFR (0.71) | DHFRALDH1A1HPGD | |
| SCHEMBL22015905 | 0.82 | HPGD (0.65) | LMNACYP1A2CYP3A4MAOAALDH1A1 | |
| SCHEMBL20188098 | 0.82 | HPGD (0.65) | LMNACYP1A2CYP3A4MAOAALDH1A1 | |
| SCHEMBL6701860 | 0.81 | DHFR (0.64) | DHFRLMNAALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL10653205 | 0.79 | DHFR (0.78) | DHFRLMNAALDH1A1SMN1; SMN2HTT | |
| SCHEMBL6705312 | 0.79 | DHFR (0.49) | DHFRALDH1A1HPGDKMT2A |
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 8 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-4532240-A | Antibacterial agents | WARNER-LAMBERT COMPANY (US) | 1985-07-30 | — | — | US | claimed |
| EP-0103464-A2 | Diaminopyrimidines and their production | WARNER-LAMBERT COMPANY (US) | 1984-03-21 | — | — | EP | 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 |
| 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 81/4885ADORA3 2771/4885ADORA2A 1596/4885 |
“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.