Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ATR | Q13535 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 2/20 | 0.43 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | SDCBP | O00560 | 1/20 | 0.40 |
| ▸ | SDC2 | P34741 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4812550 | 0.90 | PTPN1 (0.46) | HDAC1HDAC6L3MBTL1ATRHDAC8 | |
| SCHEMBL6398163 | 0.83 | HDAC1 (0.39) | HDAC1HDAC6HDAC8GRM2PSMB8 | |
| SCHEMBL6393562 | 0.82 | NAMPT (0.45) | HDAC1HDAC6L3MBTL1ATRHDAC8 | |
| SCHEMBL29529305 | 0.81 | CTSS (0.45) | HDAC1HDAC6HDAC8MAPTTDP1 | |
| SCHEMBL3583656 | 0.79 | KDM4A (0.40) | L3MBTL1ATRGRM2NAMPTCYP1A2 | |
| SCHEMBL6399242 | 0.79 | TARBP2 (0.49) | L3MBTL1ATRMAPTAKT1 | |
| SCHEMBL6392541 | 0.78 | HPGDS (0.47) | HDAC1HDAC6L3MBTL1GRM2NAMPT | |
| SCHEMBL6392931 | 0.78 | HDAC1 (0.51) | HDAC1HDAC6HDAC8ROCK2 | |
| Hydrochloric Acid SCHEMBL6392926 | 0.77 | HDAC1 (0.50) | HDAC1HDAC6HDAC8ROCK2 | |
| SCHEMBL6397000 | 0.77 | SCN10A (0.52) | HDAC1HDAC6HDAC8GAA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080139547-A1 | ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | PHARMACYCLICS, INC. (US) | 2008-06-12 | — | — | US | disclosed |
| US-7368572-B2 | Acetylene derivatives as inhibitors of histone deacetylase | PHARMACYCLICS, INC. (US) | 2008-05-06 | — | — | US | disclosed |
| EP-1656348-B1 | ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | AXYS PHARM INC (US) | 2007-02-07 | — | — | EP | disclosed |
| CN-1795175-A | Acetylene derivatives as inhibitors of histone deacetylase | AXYS PHARM INC (US) | 2006-06-28 | — | — | CN | disclosed |
| EP-1656348-A1 | ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | AXYS PHARMACEUTICALS, INC. (US) | 2006-05-17 | — | — | EP | disclosed |
| US-20050131018-A1 | Acetylene derivatives as inhibitors of histone deacetylase | AXYS PHARMACEUTICALS, INC. (US) | 2005-06-16 | — | — | US | disclosed |
| WO-2005019174-A1 | ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-03 | — | — | WO | disclosed |
| US-20050032846-A1 | Corticotropin releasing factor antagonists | PFIZER INC. | 2005-02-10 | — | — | US | disclosed |
| US-20050026929-A1 | Novel phenyl derivatives as inducers of apoptosis | AXYS PHARMACEUTICALS, INC. (US) | 2005-02-03 | — | — | US | disclosed |
| WO-2003090680-A2 | NOVEL PHENYL DERIVATIVES AS INDUCERS OF APOPTOSIS | AXYS PHARMACEUTICALS, INC. (US) | 2003-11-06 | — | — | 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 (4 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-20050026929-A1 | Novel phenyl derivatives as inducers of apoptosis | BAX, BAD, CASP3 | HDAC1 90/4885HDAC6 146/4885L3MBTL1 1537/4885 |
| US-20080139547-A1 | ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | HDAC1, HDAC10, HDAC2 | HDAC1 1/4885HDAC6 10/4885L3MBTL1 2900/4885 |
| US-20050032846-A1 | Corticotropin releasing factor antagonists | CRH, CRHR2, CRHR1 | HDAC1 1216/4885HDAC6 869/4885L3MBTL1 3243/4885 |
| US-20050131018-A1 | Acetylene derivatives as inhibitors of histone deacetylase | HDAC1, HDAC10, HDAC2 | HDAC1 1/4885HDAC6 10/4885L3MBTL1 2900/4885 |
“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.