Known targets — ChEMBL curated mechanism
rplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrpmArpmBrpmCrpmDrpmE2rpmFrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsU
The experimentally established mechanism targets of Troleandomycin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.79 |
| ▸ | USP2 | O75604 | 4/20 | 0.79 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.79 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | SLCO1B3 | Q9NPD5 | 3/20 | 0.33 |
| ▸ | SLCO1B1 | Q9Y6L6 | 3/20 | 0.33 |
| ▸ | MLNR | O43193 | 3/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Troleandomycin SCHEMBL664623 | 0.89 | CYP3A4 (1.00) | CYP3A4USP2ABCB1LMNAPGR | |
| Troleandomycin SCHEMBL125071 | 0.89 | CYP3A4 (1.00) | CYP3A4USP2ABCB1LMNAPGR | |
| Troleandomycin SCHEMBL29470683 | 0.89 | CYP3A4 (1.00) | CYP3A4USP2ABCB1LMNAPGR | |
| Troleandomycin SCHEMBL125070 | 0.89 | CYP3A4 (1.00) | CYP3A4USP2ABCB1LMNAPGR | |
| Troleandomycin SCHEMBL28198745 | 0.88 | CYP3A4 (0.94) | CYP3A4USP2ABCB1LMNAPGR | |
| SCHEMBL15944213 | 0.79 | CYP3A4 (0.80) | CYP3A4USP2ABCB1LMNAPGR | |
| Diproleandomycin SCHEMBL2109038 | 0.78 | CYP3A4 (0.78) | CYP3A4USP2ABCB1LMNAPGR | |
| Oleandomycin SCHEMBL950913 | 0.75 | CYP3A4 (0.96) | CYP3A4USP2ABCB1LMNASLCO1B3 | |
| SCHEMBL26436882 | 0.75 | CYP3A4 (0.72) | CYP3A4USP2ABCB1LMNAPGR | |
| Oleandomycin SCHEMBL10028439 | 0.74 | CYP3A4 (1.00) | CYP3A4USP2ABCB1LMNASLCO1B3 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1996201-A2 | METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2008-12-03 | — | — | EP | claimed |
| WO-2007109547-A2 | METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2007-09-27 | — | — | WO | claimed |
| US-20070219221-A1 | administration of therapeutically effective amount of 3-ethyl-1-propyl-8-(1-{[3-(trifluoromethyl)phenyl]methyl}pyrazol-4-yl)-1,3,7-trihydropurine-2,6-dione, wherein hepatic disease is selected from necrosis, fibrosis, cholestasis, cirrhosis, viral and alcoholic hepatitis, ingestion of hepatotoxic drugs | GILEAD SCIENCES, INC. | 2007-09-20 | — | — | US | claimed |
| US-20190343782-A1 | METHODS OF TREATING LIVER TOXICITY AND DISORDERS | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2019-11-14 | — | — | US | disclosed |
| EP-3548015-A1 | METHODS OF TREATING LIVER TOXICITY AND DISORDERS | Yeda Research and Development Co. Ltd. (IL) | 2019-10-09 | — | — | EP | disclosed |
| WO-2018100574-A1 | METHODS OF TREATING LIVER TOXICITY AND DISORDERS | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2018-06-07 | — | — | WO | disclosed |
| US-20160158305-A1 | ADDITIVES AND SUPPLEMENTS | THOMSON CHIP E (US) | 2016-06-09 | — | — | US | disclosed |
| US-20140243358-A1 | METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS | GILEAD SCIENCES, INC. (US) | 2014-08-28 | — | — | US | disclosed |
| US-7795268-B2 | administration of therapeutically effective amount of 3-ethyl-1-propyl-8-(1-{[3-(trifluoromethyl)phenyl]methyl}pyrazol-4-yl)-1,3,7-trihydropurine-2,6-dione, wherein hepatic disease is selected from necrosis, fibrosis, cholestasis, cirrhosis, viral and alcoholic hepatitis, ingestion of hepatotoxic drugs | GILEAD PALO ALTO, INC. (US) | 2010-09-14 | — | — | US | disclosed |
| EP-1996201-A2 | METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007109547-A2 | METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2007-09-27 | — | — | WO | disclosed |
| US-20070219221-A1 | administration of therapeutically effective amount of 3-ethyl-1-propyl-8-(1-{[3-(trifluoromethyl)phenyl]methyl}pyrazol-4-yl)-1,3,7-trihydropurine-2,6-dione, wherein hepatic disease is selected from necrosis, fibrosis, cholestasis, cirrhosis, viral and alcoholic hepatitis, ingestion of hepatotoxic drugs | GILEAD SCIENCES, INC. | 2007-09-20 | — | — | 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 (2 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-20140243358-A1 | METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS | ADORA2B, ADORA2A, ADORA1 | CYP3A4 1398/4885USP2 1591/4885ABCB1 247/4885 |
| US-20070219221-A1 | administration of therapeutically effective amount of 3-ethyl-1-propyl-8-(1-{[3-(trifluoromethyl)phenyl]methyl}pyrazol-4-yl)-1,3,7-trihydropurine-2,6-dione, wherein hepatic disease is selected from necrosis, fibrosis, cholestasis, cirrhosis, viral and alcoholic hepatitis, ingestion of hepatotoxic drugs | ADORA2B, ADORA2A, ADORA1 | CYP3A4 904/4885USP2 2863/4885ABCB1 139/4885 |
“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.