Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.46 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL538324 | 0.98 | EPHX1 (0.63) | EPHX1ALDH1A1CA12CA1CA2 | |
| SCHEMBL4196587 | 0.91 | EPHX1 (0.55) | EPHX1ALDH1A1PARP1HDAC4 | |
| SCHEMBL14450277 | 0.88 | EPHX1 (0.68) | EPHX1ALDH1A1CA12CA1CA2 | |
| SCHEMBL3911344 | 0.85 | EPHX1 (0.65) | EPHX1ALDH1A1CA12CA1CA2 | |
| SCHEMBL17093544 | 0.84 | EPHX1 (0.63) | EPHX1ALDH1A1CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL29854456 | 0.83 | EPHX1 (0.44) | EPHX1CA1CA2HPGDPARP1 | |
| SCHEMBL23602645 | 0.83 | USP30 (0.54) | EPHX1ALDH1A1CA12CA1CA2 | |
| SCHEMBL10165886 | 0.83 | USP30 (0.54) | EPHX1ALDH1A1CA12CA1CA2 | |
| SCHEMBL10205689 | 0.83 | USP30 (0.54) | EPHX1ALDH1A1CA12CA1CA2 | |
| SCHEMBL2014950 | 0.83 | EPHX1 (0.70) | EPHX1ALDH1A1CA12CA1CA2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8349827-B2 | Substituted dipyrido-pyrimido-diazepine and benzo-pyrido-pyrimido compounds | ARQULE, INC. (US) | 2013-01-08 | — | — | US | disclosed |
| US-8349827-B2 | Substituted dipyrido-pyrimido-diazepine and benzo-pyrido-pyrimido compounds | ARQULE, INC. (US) | 2013-01-08 | — | — | US | disclosed |
| US-8178672-B2 | Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 MAP kinase | ARQULE, INC. (US) | 2012-05-15 | — | — | US | disclosed |
| US-8178672-B2 | Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 MAP kinase | ARQULE, INC. (US) | 2012-05-15 | — | — | US | disclosed |
| EP-2258704-A1 | Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase | ArQule, Inc. (US) | 2010-12-08 | — | — | EP | disclosed |
| US-20100249108-A1 | SUBSTITUTED DIPYRIDO-PYRIMIDO-DIAZEPINE AND BENZO-PYRIDO-PYRIMIDO COMPOUNDS | ARQULE, INC. (US) | 2010-09-30 | — | — | US | disclosed |
| US-20090136499-A1 | RAF Inhibitors and Uses Thereof | ARQULE, INC. (US) | 2009-05-28 | — | — | US | disclosed |
| US-20090136499-A1 | RAF Inhibitors and Uses Thereof | ARQULE, INC. (US) | 2009-05-28 | — | — | US | disclosed |
| US-20090111985-A1 | Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase | ARQULE, INC. | 2009-04-30 | — | — | US | disclosed |
| US-20090111985-A1 | Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase | ARQULE, INC. | 2009-04-30 | — | — | US | disclosed |
| US-7501430-B2 | e.g. 3-{5-[2-({(3R)-1-[(4-chlorophenyl)sulfonyl]piperidin-3-yl}amino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl carbamate; antiproliferative, anticarcinogenic agent; cell proliferative disorders | ARQULE, INC. (US) | 2009-03-10 | — | — | US | disclosed |
| US-7501430-B2 | e.g. 3-{5-[2-({(3R)-1-[(4-chlorophenyl)sulfonyl]piperidin-3-yl}amino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl carbamate; antiproliferative, anticarcinogenic agent; cell proliferative disorders | ARQULE, INC. (US) | 2009-03-10 | — | — | US | disclosed |
| US-20070281955-A1 | RAF inhibitors and their uses | ARQULE, INC. | 2007-12-06 | — | — | US | disclosed |
| US-20070281955-A1 | RAF inhibitors and their uses | ARQULE, INC. | 2007-12-06 | — | — | US | disclosed |
| WO-2007123892-A2 | RAF INHIBITORS AND THEIR USES | ARQULE INC. (US) | 2007-11-01 | — | — | 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-20100249108-A1 | SUBSTITUTED DIPYRIDO-PYRIMIDO-DIAZEPINE AND BENZO-PYRIDO-PYRIMIDO COMPOUNDS | PDXK, DPYD, DHFR | EPHX1 576/4885ALDH1A1 873/4885CA12 3725/4885 |
| US-20070281955-A1 | RAF inhibitors and their uses | BRAF, RAF1, ARAF | EPHX1 2263/4885ALDH1A1 1902/4885CA12 4303/4885 |
| US-20090111985-A1 | Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase | MAPK1, MAPK14, MAPK15 | EPHX1 1742/4885ALDH1A1 2858/4885CA12 4763/4885 |
| US-20090136499-A1 | RAF Inhibitors and Uses Thereof | BRAF, RAF1, ARAF | EPHX1 2191/4885ALDH1A1 1746/4885CA12 4235/4885 |
“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.