Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.51 |
| ▸ | BCHE | P06276 | 4/20 | 0.48 |
| ▸ | ACHE | P22303 | 4/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 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 | |
|---|---|---|---|---|
| SCHEMBL1874727 | 0.80 | KMT2A (0.59) | NPC1HSP90AA1HSP90AB1KDM4EALDH1A1 | |
| SCHEMBL1877098 | 0.79 | ADORA2A (0.56) | ADORA2AHSP90AB1PIM3DHFRKDM4E | |
| SCHEMBL6027816 | 0.78 | ADORA2A (0.62) | ADORA2AHSP90AB1DHFRMAPTADORA1 | |
| SCHEMBL23009237 | 0.78 | KDM4E (0.59) | NPC1APPDHFRKDM4EALDH1A1 | |
| SCHEMBL15502284 | 0.76 | NPC1 (0.51) | ADORA2ABCHEACHECHRM1NPC1 | |
| SCHEMBL1878963 | 0.76 | NPC1 (0.54) | ADORA2ANPC1HSP90AA1HSP90AB1KDM4E | |
| SCHEMBL10340594 | 0.74 | ALDH1A1 (0.61) | NPC1APPKDM4EALDH1A1MAPT | |
| SCHEMBL30839739 | 0.74 | ALDH1A1 (0.61) | NPC1APPKDM4EALDH1A1MAPT | |
| SCHEMBL30839715 | 0.74 | ALDH1A1 (0.61) | NPC1APPKDM4EALDH1A1MAPT | |
| SCHEMBL19723014 | 0.73 | ALDH1A1 (0.46) | ADORA2ABCHEACHECHRM1GRIN1 |
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 | ADORA2A 2930/4885BCHE 4796/4885ACHE 4859/4885 |
“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.