Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | XIAP | P98170 | 1/20 | 0.36 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5545352 | 0.92 | CYP2C19 (0.40) | ALDH1A1CYP2C19GAAKDM4EHSD17B10 | |
| SCHEMBL5540782 | 0.91 | ALDH1A1 (0.40) | ALDH1A1CYP2C19GAAKDM4EHSD17B10 | |
| SCHEMBL5546923 | 0.90 | ALDH1A1 (0.39) | ALDH1A1CYP2C19GAAKDM4EHSD17B10 | |
| SCHEMBL5545506 | 0.88 | XIAP (0.36) | ALDH1A1CYP2C19GAAKDM4EHSD17B10 | |
| SCHEMBL5545915 | 0.88 | CYP2C19 (0.45) | ALDH1A1CYP2C19GAAKDM4EHSD17B10 | |
| SCHEMBL5548077 | 0.87 | ALDH1A1 (0.46) | ALDH1A1CYP2C19GAAKDM4EHSD17B10 | |
| SCHEMBL5545326 | 0.87 | CYP2C19 (0.40) | ALDH1A1CYP2C19GAAKDM4EHSD17B10 | |
| SCHEMBL5546983 | 0.85 | L3MBTL1 (0.37) | ALDH1A1CYP2C19GAAKDM4EHSD17B10 | |
| SCHEMBL5546673 | 0.83 | CYP2C19 (0.37) | ALDH1A1CYP2C19GAAKDM4EHSD17B10 | |
| SCHEMBL5540627 | 0.83 | L3MBTL1 (0.37) | ALDH1A1CYP2C19GAAKDM4EHSD17B10 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150225399-A1 | HIV INTEGRASE INHIBITORS | VIIV HEALTHCARE CO (US) | 2015-08-13 | — | — | US | disclosed |
| EP-1720856-B1 | HIV INTEGRASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2013-08-14 | — | — | EP | disclosed |
| US-20070124152-A1 | Hiv Integrase Inhibitors | GLAXOSMITHKLINE LLC | 2007-05-31 | — | — | US | disclosed |
| EP-1720856-A2 | HIV INTEGRASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005077050-A2 | HIV INTEGRASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-08-25 | — | — | 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 (1 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-20150225399-A1 | HIV INTEGRASE INHIBITORS | ING2, API5, SAMHD1 | ALDH1A1 3073/4885CYP2C19 2455/4885GAA 1077/4885 |
“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.