Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.55 |
| ▸ | HEXA | P06865 | 2/20 | 0.54 |
| ▸ | HEXB | P07686 | 2/20 | 0.54 |
| ▸ | GHSR | Q92847 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 2/20 | 0.50 |
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HRH2 | P25021 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1644859 | 0.88 | ADORA2A (0.59) | ALDH1A1ADORA2AADORA1HEXAHEXB | |
| SCHEMBL3117390 | 0.85 | ADORA2A (0.52) | CYP2D6ADORA2AADORA1HEXAHEXB | |
| SCHEMBL3119208 | 0.83 | ADORA2A (0.52) | CYP2D6ADORA2AADORA1HEXAHEXB | |
| SCHEMBL21313193 | 0.82 | ADORA2A (0.62) | ALDH1A1CYP2D6ATMADORA2AADORA1 | |
| SCHEMBL21313144 | 0.81 | ADORA2A (0.62) | ALDH1A1CYP2D6ATMADORA2AADORA1 | |
| SCHEMBL2473930 | 0.78 | DHFR (0.58) | ALDH1A1CYP2D6ADORA2AADORA1HEXA | |
| SCHEMBL12138069 | 0.78 | KDM4E (0.60) | ALDH1A1ADORA2AADORA1HEXAHEXB | |
| SCHEMBL3118642 | 0.77 | MEN1 (0.54) | ALDH1A1ADORA2AADORA1HEXAHEXB | |
| Hydrochloric Acid SCHEMBL15487768 | 0.77 | DHFR (0.56) | ALDH1A1CYP2D6ADORA2AADORA1HEXA | |
| SCHEMBL1643128 | 0.76 | ADORA2A (0.43) | CYP2D6ADORA2AADORA1HEXAHEXB |
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-20100075967-A1 | PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS | BAYER PHARMACEUTICALS CORPORATION (US) | 2010-03-25 | — | — | US | disclosed |
| US-7678804-B2 | Pyrimidine derivatives for treatment of hyperproliferative disorders | BAYER HEALTHCARE LLC (US) | 2010-03-16 | — | — | US | disclosed |
| US-7582645-B2 | Pyrimidine derivatives for treatment of hyperproliferative disorders | BAYER PHARMACEUTICALS CORPORATION (US) | 2009-09-01 | — | — | US | disclosed |
| US-20070117817-A1 | 4-{3-[(2-Amino-6-phenylpyrimidin-4-yl)amino]phenoxy}-N-methylpyridine-2-carboxamide;anticarcinogenic agents; breast cancer; antitumor agents; respiratory system disorders; urogenital disorders; gastrointestinal disorders; skin disorders; glandular disorders; lymphomas; leukemia; cytolysis | BAYER PHARMACEUTICALS CORPORATION (US) | 2007-05-24 | — | — | US | disclosed |
| US-20050277640-A1 | Pyrimidine derivatives for treatment of hyperproliferative disorders | BAYER PHARMACEUTICALS CORPORATION (US) | 2005-12-15 | — | — | 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 (3 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-20100075967-A1 | PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS | TYMP, DPYD, CCNA2 | ALDH1A1 1122/4885CYP2D6 1175/4885ATM 1225/4885 |
| US-20070117817-A1 | 4-{3-[(2-Amino-6-phenylpyrimidin-4-yl)amino]phenoxy}-N-methylpyridine-2-carboxamide;anticarcinogenic agents; breast cancer; antitumor agents; respiratory system disorders; urogenital disorders; gastrointestinal disorders; skin disorders; glandular disorders; lymphomas; leukemia; cytolysis | CCNA2, MALT1, TPD52L2 | ALDH1A1 1614/4885CYP2D6 289/4885ATM 1825/4885 |
| US-20050277640-A1 | Pyrimidine derivatives for treatment of hyperproliferative disorders | TYMP, DPYD, CCNA2 | ALDH1A1 1122/4885CYP2D6 1175/4885ATM 1225/4885 |
“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.