Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 2/20 | 0.38 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
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 SCHEMBL4023563 | 0.98 | AKR1C3 (0.44) | AKR1C3AKR1C2AKR1C1CES2GAA | |
| SCHEMBL1969936 | 0.83 | AKR1C3 (0.61) | AKR1C3AKR1C2AKR1C1CES2HDAC3 | |
| SCHEMBL13386454 | 0.83 | KDM1A (0.51) | AKR1C3AKR1C2CES2HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL6638347 | 0.81 | AKR1C3 (0.60) | AKR1C3AKR1C2AKR1C1CES2HDAC3 | |
| SCHEMBL6638346 | 0.81 | AKR1C3 (0.46) | AKR1C3AKR1C2AKR1C1CES2HDAC3 | |
| SCHEMBL5342038 | 0.81 | THRB (0.53) | AKR1C3AKR1C2AKR1C1CES2HDAC3 | |
| SCHEMBL28876092 | 0.77 | AKR1C3 (0.56) | AKR1C3AKR1C2AKR1C1CCR2APP | |
| SCHEMBL1971108 | 0.77 | AKR1C3 (0.43) | AKR1C3AKR1C2AKR1C1CES2HDAC3 | |
| Hydrochloric Acid SCHEMBL15863253 | 0.77 | AKR1C3 (0.37) | AKR1C3AKR1C2AKR1C1CES2GAA | |
| SCHEMBL18742750 | 0.77 | SLC6A4 (0.51) | AKR1C3AKR1C2CES2HDAC3HDAC1 |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1460066-B1 | Piperazine compounds as Tachykinins inhibitors | GLAXO GROUP LTD (GB) | 2009-07-01 | — | — | EP | claimed |
| EP-1454901-B1 | Pharmaceutical compositions comprising tachykinins antagonists and a serotonin reuptake inhibitor. | GLAXO GROUP LTD (GB) | 2008-09-03 | — | — | EP | claimed |
| US-RE39921-E1 | Chemical compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2007-11-13 | — | — | US | claimed |
| US-7071196-B2 | Chemical compounds | SMITHKLINE BEECHAM CROPORATION (US) | 2006-07-04 | — | — | US | claimed |
| US-6951861-B1 | Chemical compounds | SMITHKLINE BEECHAN CORPORATION (US) | 2005-10-04 | — | — | US | claimed |
| EP-1460066-A1 | Piperazine compounds | GLAXO GROUP LIMITED (GB) | 2004-09-22 | — | — | EP | claimed |
| EP-1454901-A1 | Piperazine compounds and pharmaceutical compositions containing them. | GLAXO GROUP LIMITED (GB) | 2004-09-08 | — | — | EP | claimed |
| US-20040048862-A1 | Chemical compounds | GLAXO GROUP LIMITED (GB) | 2004-03-11 | — | — | US | claimed |
| US-6642240-B2 | Piperazine derivatives; antagonists of tachykinins, including substance P; 2-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)methyl amide for example | SMITHKLINE BEECHAM CORPORATION | 2003-11-04 | — | — | US | claimed |
| US-20030028021-A1 | Chemical compounds | GLAXO GROUP LIMITED (GB) | 2003-02-06 | — | — | US | claimed |
| EP-1218359-A2 | PIPERAZINE COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2002-07-03 | — | — | EP | claimed |
| WO-2001025219-A2 | PIPERAZINE COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2001-04-12 | — | — | WO | claimed |
| US-20100105688-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 | GLAXO GROUP LIMITED (GB) | 2010-04-29 | — | — | US | disclosed |
| US-20090326032-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS | GLAXO GROUP LIMITED (GB) | 2009-12-31 | — | — | US | disclosed |
| US-20090318530-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS | GLAXO GROUP LIMITED (GB) | 2009-12-24 | — | — | US | disclosed |
| EP-2129381-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING 3, 5-DIAMIN0-6- (2, 3-DICHL0PHENYL) -L, 2, 4-TRIAZINE OR R (-) -2, 4-DIAMINO-5- (2, 3-DICHLOROPHENYL) -6-FLUOROMETHYL PYRIMIDINE AND AN NK1 | Glaxo Group Limited (GB) | 2009-12-09 | — | — | EP | disclosed |
| US-6642240-B2 | Piperazine derivatives; antagonists of tachykinins, including substance P; 2-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)methyl amide for example | SMITHKLINE BEECHAM CORPORATION | 2003-11-04 | — | — | US | disclosed |
| US-20030028021-A1 | Chemical compounds | GLAXO GROUP LIMITED (GB) | 2003-02-06 | — | — | US | disclosed |
| EP-1218359-A2 | PIPERAZINE COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001025219-A2 | PIPERAZINE COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2001-04-12 | — | — | 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 (5 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-20090318530-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS | HCRTR1, TACR2, CNR1 | AKR1C3 124/4885AKR1C2 209/4885AKR1C1 177/4885 |
| US-20100105688-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 | KCNJ2, SCN5A, GRIK5 | AKR1C3 1090/4885AKR1C2 1177/4885AKR1C1 1492/4885 |
| US-20030028021-A1 | Chemical compounds | TACR1, TACR2, TAC3 | AKR1C3 2043/4885AKR1C2 2217/4885AKR1C1 2171/4885 |
| US-20090326032-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS | TACR2, TACR1, KCNH3 | AKR1C3 93/4885AKR1C2 189/4885AKR1C1 183/4885 |
| US-20040048862-A1 | Chemical compounds | TACR1, TACR2, TAC3 | AKR1C3 2043/4885AKR1C2 2217/4885AKR1C1 2171/4885 |
“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.