Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.48 |
| ▸ | ADH1B | P00325 | 1/20 | 0.48 |
| ▸ | ADH1C | P00326 | 1/20 | 0.48 |
| ▸ | ADH1A | P07327 | 1/20 | 0.48 |
| ▸ | ADH4 | P08319 | 1/20 | 0.48 |
| ▸ | ADH7 | P40394 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11923008 | 0.98 | TDP1 (0.46) | CYP2D6EPHX1ADH1BADH1CADH1A | |
| SCHEMBL11922740 | 0.93 | TDP1 (0.46) | CYP2D6EPHX1ADH1BADH1CADH1A | |
| SCHEMBL1380293 | 0.89 | — | — | |
| SCHEMBL8843144 | 0.82 | EPHX1 (0.47) | CYP2D6EPHX1ALOX5KMT2AHPGD | |
| SCHEMBL157039 | 0.80 | EPHX1 (0.50) | CYP2D6EPHX1ADH1BADH1CADH1A | |
| SCHEMBL2305766 | 0.79 | KCNH2 (0.48) | TDP1KCNH2KDM4E | |
| SCHEMBL6274645 | 0.78 | HPGD (0.53) | EPHX1KMT2AHPGDPOLB | |
| SCHEMBL8165369 | 0.77 | CYP2D6 (0.47) | CYP2D6EPHX1ADH1BADH1CADH1A | |
| SCHEMBL20379771 | 0.77 | EPHX1 (0.50) | CYP2D6EPHX1ADH1BADH1CADH1A | |
| SCHEMBL24986 | 0.77 | EPHX1 (0.50) | CYP2D6EPHX1ADH1BADH1CADH1A |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3275861-A1 | TETRACYCLINE COMPOUNDS | Tetraphase Pharmaceuticals, Inc. (US) | 2018-01-31 | — | — | EP | disclosed |
| US-20170334841-A1 | TETRACYCLINE COMPOUNDS | TETRAPHASE PHARMACEUTICALS, INC. | 2017-11-23 | — | — | US | disclosed |
| EP-2470500-B1 | TETRACYCLINE COMPOUNDS | TETRAPHASE PHARMACEUTICALS INC (US) | 2017-10-04 | — | — | EP | disclosed |
| US-9624166-B2 | Tetracycline compounds | TETRAPHASE PHARMACEUTICALS, INC. (US) | 2017-04-18 | — | — | US | disclosed |
| US-20160243102-A1 | RHO KINASE INHIBITORS | ALCON INC. (CH) | 2016-08-25 | — | — | US | disclosed |
| US-20150297581-A1 | RHO KINASE INHIBITORS | ALCON INC. (CH) | 2015-10-22 | — | — | US | disclosed |
| US-20140357652-A1 | RHO KINASE INHIBITORS | ALCON INC. (CH) | 2014-12-04 | — | — | US | disclosed |
| US-8809326-B2 | Isoquinolinone Rho kinase inhibitors | AERIE PHARMACEUTICALS, INC. (US) | 2014-08-19 | — | — | US | disclosed |
| US-20120208788-A1 | Tetracycline Compounds | TETRAPHASE PHARMACEUTICALS, INC. | 2012-08-16 | — | — | US | disclosed |
| US-7807704-B2 | Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 | CHEMOCENTRYX, INC. (US) | 2010-10-05 | — | — | US | disclosed |
| US-20080161297-A1 | e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, | ALCON INC. (CH) | 2008-07-03 | — | — | US | disclosed |
| US-20070275965-A1 | CXCR4 modulators | CHEMOCENTRYX, INC. (US) | 2007-11-29 | — | — | US | disclosed |
| WO-2007115231-A2 | CXCR4 MODULATORS | CHEMOCENTRYX, INC. (US) | 2007-10-11 | — | — | WO | disclosed |
| EP-1284961-A1 | GLYCINAMIDES | MERCK PATENT GmbH (DE) | 2003-02-26 | — | — | EP | disclosed |
| WO-2001092219-A1 | GLYCINAMIDES | MERCK PATENT GMBH (DE) | 2001-12-06 | — | — | WO | disclosed |
| US-5948780-A | ADMINISTERING A METALLOPROTEINASE INHIBITOR | WARNER-LAMBERT COMPANY (US) | 1999-09-07 | — | — | US | disclosed |
| US-5672615-A | MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS | NOVARTIS CORPORATION (US) | 1997-09-30 | — | — | US | 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 (7 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-20160243102-A1 | RHO KINASE INHIBITORS | ROCK1, ROCK2, CIT | CYP2D6 3873/4885EPHX1 832/4885ADH1B 3415/4885 |
| US-20070275965-A1 | CXCR4 modulators | CXCL12, CXCR4, CXCR1 | CYP2D6 4288/4885EPHX1 3159/4885ADH1B 3184/4885 |
| US-20150297581-A1 | RHO KINASE INHIBITORS | ROCK1, ROCK2, CIT | CYP2D6 3873/4885EPHX1 832/4885ADH1B 3415/4885 |
| US-20140357652-A1 | RHO KINASE INHIBITORS | ROCK1, ROCK2, CIT | CYP2D6 3873/4885EPHX1 832/4885ADH1B 3415/4885 |
| US-20170334841-A1 | TETRACYCLINE COMPOUNDS | TUBB, TUBA1A, TUBA1C | CYP2D6 554/4885EPHX1 4485/4885ADH1B 3856/4885 |
| US-20080161297-A1 | e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, | ROCK1, ROCK2, ARHGDIA | CYP2D6 3540/4885EPHX1 248/4885ADH1B 3528/4885 |
| US-20120208788-A1 | Tetracycline Compounds | TUBA1A, TUBA1C, TUBB1 | CYP2D6 522/4885EPHX1 4330/4885ADH1B 3834/4885 |
“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.