Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.32 |
| ▸ | TUBB | P07437 | 1/20 | 0.32 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.32 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.32 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.32 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.32 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.32 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.32 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.32 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.32 |
| ▸ | TUBA1A | Q71U36 | 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 | |
|---|---|---|---|---|
| SCHEMBL2177887 | 0.82 | CYP11B1 (0.39) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL2179984 | 0.82 | CYP11B1 (0.36) | ALDH1A1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL2180024 | 0.81 | RXRA (0.34) | ALDH1A1 | |
| SCHEMBL1035285 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL896600 | 0.77 | — | — | |
| SCHEMBL2177631 | 0.77 | — | — | |
| SCHEMBL1022718 | 0.76 | — | — | |
| SCHEMBL895932 | 0.76 | — | — | |
| SCHEMBL2179003 | 0.76 | — | — | |
| SCHEMBL2176878 | 0.76 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120196853-A1 | Novel Quinoline-Hepcidine Antagonists | VIFOR (INTERNATIONAL) AG (CH) | 2012-08-02 | — | — | US | disclosed |
| US-20110166162-A1 | 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests | BASF SE (DE) | 2011-07-07 | — | — | US | disclosed |
| EP-2109612-A2 | 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS | AstraZeneca AB (SE) | 2009-10-21 | — | — | EP | disclosed |
| WO-2008093075-A2 | 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS | ASTRAZENECA AB (SE) | 2008-08-07 | — | — | WO | disclosed |
| EP-1401826-B1 | PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| CN-1249052-C | Pyrazole derivatives as HIV reverse transcriptase inhibitors | HOFFMANN LA ROCHE (CH) | 2006-04-05 | — | — | CN | disclosed |
| CN-1527829-A | Pyrazole derivatives as HIV reverse transcriptase inhibitors | - | 2004-09-08 | — | — | CN | disclosed |
| EP-1417202-A2 | AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2004-05-12 | — | — | EP | disclosed |
| EP-1401826-A1 | PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-03-31 | — | — | EP | disclosed |
| US-20030069276-A1 | Amino piperidine derivatives | F.HOFFMANN-LA ROCHE AG (CH) | 2003-04-10 | — | — | US | disclosed |
| US-6538015-B1 | Process for their manufacture, pharmaceutical compositions and the use of such compounds in medicine. In particular, the compounds of formula I are inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is | HOFFMANN-LA ROCHE INC. | 2003-03-25 | — | — | US | disclosed |
| WO-2002100853-A1 | PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-12-19 | — | — | WO | disclosed |
| WO-2002079186-A2 | AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-10 | — | — | WO | disclosed |
| EP-0934940-A1 | CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF | Japan Tobacco Inc. (JP) | 1999-08-11 | — | — | EP | disclosed |
| US-5807850-A | Therapeutic agent for osteoporosis and triazepine compound | JAPAN TOBACCO, INC. (JP) | 1998-09-15 | — | — | US | disclosed |
| EP-0792880-A1 | OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND | Japan Tobacco Inc. (JP) | 1997-09-03 | — | — | EP | 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 (3 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-20120196853-A1 | Novel Quinoline-Hepcidine Antagonists | HAMP, SLC40A1, FTH1 | ALDH1A1 2250/4885CYP1A1 1117/4885CYP1B1 1235/4885 |
| US-20030069276-A1 | Amino piperidine derivatives | CCR5, CCR2, CXCR4 | ALDH1A1 1935/4885CYP1A1 1994/4885CYP1B1 2146/4885 |
| US-20110166162-A1 | 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests | GLRX3, CBR3, PRDX1 | ALDH1A1 2095/4885CYP1A1 1416/4885CYP1B1 1350/4885 |
“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.