Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 6/20 | 0.54 |
| ▸ | SLC9A3 | P48764 | 3/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | FABP4 | P15090 | 3/20 | 0.45 |
| ▸ | FABP3 | P05413 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1878237 | 0.84 | SLC9A3 (0.63) | DHFRSLC9A3HSP90AB1ADORA2AKDM4E | |
| SCHEMBL1883379 | 0.83 | RXRA (0.58) | SLC9A3HSP90AB1KDM4E | |
| SCHEMBL1879985 | 0.83 | BACE1 (0.55) | DHFRSLC9A3HSP90AB1ADORA2A | |
| SCHEMBL12639853 | 0.83 | GPR34 (0.54) | SLC9A3 | |
| SCHEMBL1880116 | 0.83 | MRGPRX4 (0.56) | — | |
| SCHEMBL1881986 | 0.82 | DHFR (0.55) | DHFRSLC9A3HSP90AB1ADORA2A | |
| SCHEMBL1876263 | 0.81 | SLC9A3 (0.57) | DHFRSLC9A3HSP90AB1ADORA2A | |
| SCHEMBL1871914 | 0.81 | DCPS (0.51) | DHFRSLC9A3HSP90AB1ADORA2AKDM4E | |
| SCHEMBL1879898 | 0.80 | CYP3A4 (0.50) | DHFRSLC9A3HSP90AB1ADORA2AKDM4E | |
| SCHEMBL1881261 | 0.80 | MRGPRX4 (0.53) | DHFRSLC9A3HSP90AB1ADORA2A |
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-7947696-B2 | heat shock proteins inhibition, regulation and/or modulation; tumour diseases, viral diseases, for immune suppression in transplants, inflammation-induced diseases, cystic fibrosis, diseases associated with angiogenesis, infectious diseases, autoimmune diseases, ischaemia, fibrogenetic diseases | MERCK PATENT GMBH (DE) | 2011-05-24 | — | — | US | disclosed |
| US-20080214586-A1 | 2-Amino-4-Phenylquinazoline Derivatives and the Use Thereof as Hsp90 Modulators | MERCK PATENT GMBH (DE) | 2008-09-04 | — | — | US | disclosed |
| EP-1881965-A1 | 2-AMINO-4-PHENYLQUINAZOLINE DERIVATES AND THEIR USE AS HSP90 MODULATORS | Merck Patent GmbH (DE) | 2008-01-30 | — | — | EP | disclosed |
| WO-2006122631-A1 | 2-AMINO-4-PHENYLQUINAZOLINE DERIVATES AND THEIR USE AS HSP90 MODULATORS | MERCK PATENT GMBH (DE) | 2006-11-23 | — | — | 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-20080214586-A1 | 2-Amino-4-Phenylquinazoline Derivatives and the Use Thereof as Hsp90 Modulators | HSP90AB2P, HSP90AB1, HSP90AA1 | DHFR 2653/4885SLC9A3 2685/4885HSP90AB1 2/4885 |
“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.