Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 6/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 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 | |
|---|---|---|---|---|
| SCHEMBL5401803 | 1.00 | HDAC1 (0.44) | HDAC1HDAC6AHRPTGS1HDAC3 | |
| SCHEMBL5042873 | 0.82 | HDAC1 (0.42) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL5045008 | 0.82 | HDAC1 (0.42) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL5042874 | 0.82 | HDAC1 (0.42) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL5045006 | 0.82 | HDAC1 (0.42) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL5757647 | 0.80 | HDAC1 (0.58) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL5757650 | 0.80 | HDAC1 (0.58) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL24112057 | 0.80 | MPL (0.41) | HDAC1HDAC6 | |
| SCHEMBL5040848 | 0.80 | HDAC1 (0.40) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL28478098 | 0.80 | MPL (0.41) | HDAC1HDAC6 |
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-7259262-B2 | Arylazole derivatives, their manufacture and use as pharmaceutical agents | HOFFMANN-LA ROCHE INC. (US) | 2007-08-21 | — | — | US | disclosed |
| CN-1867567-A | 2-' (E) -2- (phenyl) vinyl-4- (arylalkoxy) -oxazole or-thiazole compounds as HER-2 tyrosine kinase inhibitors and their use in the treatment of cancer | HOFFMANN LA ROCHE (CH) | 2006-11-22 | — | — | CN | disclosed |
| EP-1680417-A1 | 1-'(E)-2-(PHENYL)ETHENYL-4-(ARYLALKOXY)-OXAZOLE OR -THIAZOLE COMPOUNDS AS HER-2 TYROSINE KINASES INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2006-07-19 | — | — | EP | disclosed |
| US-20050124670-A1 | Novel arylazole derivatives, their manufacture and use as pharmaceutical agents | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2005-06-09 | — | — | US | disclosed |
| WO-2005040158-A1 | 1-′(E)-2-(PHENYL) ETHENYL-4-(ARYLALKOXY)-OXAZOLE OR - THIAZOLE COMPOUNDS AS HER-2 TYROSINE KINASES INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER | F. HOFFMANN - LA ROCHE AG (CH) | 2005-05-06 | — | — | 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-20050124670-A1 | Novel arylazole derivatives, their manufacture and use as pharmaceutical agents | CYP3A43, CYP3A5, CYP1A1 | HDAC1 269/4885HDAC6 277/4885AHR 32/4885 |
“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.