Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.34 |
| ▸ | FASN | P49327 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 3/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | EP300 | Q09472 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2781799 | 0.85 | TSHR (0.35) | ALDH1A1CA2CA12CA7CA14 | |
| SCHEMBL2005040 | 0.84 | CA2 (0.39) | CA2CA12CA7CA14CA1 | |
| SCHEMBL388934 | 0.74 | ALDH1A1 (0.36) | ALDH1A1CTRB1FASNGRM2EP300 | |
| SCHEMBL746094 | 0.74 | CTRB1 (0.35) | CTRB1FASNGRM2 | |
| SCHEMBL230546 | 0.73 | CTRB1 (0.36) | CTRB1FASNGRM2PRSS1 | |
| SCHEMBL6076922 | 0.71 | TSHR (0.40) | TDP1CTRB1FASNMMP9GRM2 | |
| SCHEMBL1698739 | 0.71 | AKR1B1 (0.46) | CTRB1 | |
| SCHEMBL5004808 | 0.71 | PLA2G10 (0.39) | ALDH1A1HSD17B10TDP1CTRB1FASN | |
| SCHEMBL3744743 | 0.70 | CTRB1 (0.35) | CTRB1FASNGRM2PRSS1 | |
| SCHEMBL5754991 | 0.70 | TAAR1 (0.39) | ALDH1A1HSD17B10CTRB1FASNGRM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7919523-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS, INC. (US) | 2011-04-05 | — | — | US | disclosed |
| US-20090042973-A1 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED | 2009-02-12 | — | — | US | disclosed |
| US-7442718-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-10-28 | — | — | US | disclosed |
| WO-2008124524-A2 | ARYL SULFONAMIDE COMPOUNDS AS MODULATORS OF THE CCK2 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-10-16 | — | — | WO | disclosed |
| EP-1910342-A1 | MULTICYCLIC SULFONAMIDE COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE | Kalypsys, Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007016354-A1 | MULTICYCLIC SULFONAMIDE COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2007-02-08 | — | — | WO | disclosed |
| US-20070027184-A1 | Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease | KALYPSYS, INC. | 2007-02-01 | — | — | US | disclosed |
| EP-1637518-A2 | Inhibitors of aspartyl protease | Vertex Pharmaceuticals Incorporated (US) | 2006-03-22 | — | — | EP | disclosed |
| EP-1159278-B1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMA (US) | 2005-11-30 | — | — | EP | disclosed |
| US-20040127488-A1 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED | 2004-07-01 | — | — | US | disclosed |
| US-6617350-B2 | Sulfonamides which are aspartyl protease inhibitors; well suited for inhibiting HIV-1 and HIV-2 protease activity | VERTEX PHARMACEUTICALS INCORPORATED | 2003-09-09 | — | — | US | disclosed |
| US-20020198388-A1 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED | 2002-12-26 | — | — | US | disclosed |
| EP-0799206-B1 | ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2002-09-11 | — | — | EP | disclosed |
| US-6319946-B1 | BENZODIOXOLYLSULFONAMIDES; INHIBITING HIV-1 AND HIV-2 PROTEASE ACTIVITY | VERTEX PHARMACEUTICALS INCORPORATED | 2001-11-20 | — | — | US | disclosed |
| US-6133442-A | FOR THE TREATMENT OF DISORDERS WHICH ARE ASSOCIATED WITH ENDOTHELIN ACTIVITIES, ESPECIALLY CIRCULATORY DISORDERS SUCH AS HYPERTENSION, ISCHAEMIA, VASOSPASMS AND ANGINA PECTORIS | HOFFMANN-LA ROCHE INC. (US) | 2000-10-17 | — | — | US | disclosed |
| EP-0799206-A1 | ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1997-10-08 | — | — | EP | disclosed |
| WO-1996019455-A1 | ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1996-06-27 | — | — | 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-20090042973-A1 | Inhibitors of aspartyl protease | SPINT2, DNPEP, PRSS1 | ALDH1A1 1604/4885HSD17B10 1281/4885TDP1 722/4885 |
| US-20040127488-A1 | Inhibitors of aspartyl protease | SPINT2, DNPEP, PRSS1 | ALDH1A1 1604/4885HSD17B10 1281/4885TDP1 722/4885 |
| US-20020198388-A1 | Inhibitors of aspartyl protease | SPINT2, DNPEP, PRSS1 | ALDH1A1 1604/4885HSD17B10 1281/4885TDP1 722/4885 |
| US-20070027184-A1 | Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease | HDAC6, HDAC5, HDAC7 | ALDH1A1 1241/4885HSD17B10 1289/4885TDP1 853/4885 |
“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.