Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Docusate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.42 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.79 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 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 | |
|---|---|---|---|---|
| Docusate SCHEMBL1282782 | 0.96 | RECQL (0.72) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL727271 | 0.95 | RECQL (0.71) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL22231584 | 0.95 | RECQL (0.71) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL17840937 | 0.95 | RECQL (0.71) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL6932639 | 0.95 | RECQL (0.71) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL11434516 | 0.95 | RECQL (0.71) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL19022251 | 0.95 | RECQL (0.71) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL723749 | 0.95 | RECQL (0.71) | RECQLCYP3A4TSHRTDP1ATM | |
| SCHEMBL2881845 | 0.94 | RECQL (0.80) | RECQLCYP3A4TSHRTDP1ATM | |
| SCHEMBL23117139 | 0.92 | RECQL (0.75) | RECQLCYP3A4TSHRTDP1ATM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130203778-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A PYRIMIDINEONE DERIVATIVE | GLENMARK PHARMACEUTICALS S.A. (CH) | 2013-08-08 | — | — | US | disclosed |
| EP-2549998-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A PYRIMIDINEONE DERIVATIVE | Glenmark Pharmaceuticals S.A. (CH) | 2013-01-30 | — | — | EP | disclosed |
| WO-2011117711-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A PYRIMIDINEONE DERIVATIVE | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-09-29 | — | — | 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-20130203778-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A PYRIMIDINEONE DERIVATIVE | GPR17, P2RY2, ABCG2 | CA2 3028/4885CA1 4596/4885RECQL 736/4885 |
“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.