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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP known ✓ | O00591 | 2/20 | 0.36 |
| ▸ | GABRD known ✓ | O14764 | 2/20 | 0.36 |
| ▸ | GABRA1 known ✓ | P14867 | 2/20 | 0.36 |
| ▸ | GABRB1 known ✓ | P18505 | 2/20 | 0.36 |
| ▸ | GABRG2 known ✓ | P18507 | 2/20 | 0.36 |
| ▸ | GABRB3 known ✓ | P28472 | 2/20 | 0.36 |
| ▸ | GABRA5 known ✓ | P31644 | 2/20 | 0.36 |
| ▸ | GABRA3 known ✓ | P34903 | 2/20 | 0.36 |
| ▸ | GABRA2 known ✓ | P47869 | 2/20 | 0.36 |
| ▸ | GABRB2 known ✓ | P47870 | 2/20 | 0.36 |
| ▸ | GABRA4 known ✓ | P48169 | 2/20 | 0.36 |
| ▸ | GABRE known ✓ | P78334 | 2/20 | 0.36 |
| ▸ | GABRA6 known ✓ | Q16445 | 2/20 | 0.36 |
| ▸ | GABRG1 known ✓ | Q8N1C3 | 2/20 | 0.36 |
| ▸ | GABRG3 known ✓ | Q99928 | 2/20 | 0.36 |
| ▸ | GABRQ known ✓ | Q9UN88 | 2/20 | 0.36 |
| ▸ | GABBR2 known ✓ | O75899 | 1/20 | 0.34 |
| ▸ | GABBR1 known ✓ | Q9UBS5 | 1/20 | 0.34 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29066147 | 0.79 | ENPEP (0.60) | ENPEPALDH1A1TP53PMP22GMNN | |
| SCHEMBL18008285 | 0.79 | ENPEP (0.48) | ENPEPALDH1A1TP53PMP22GMNN | |
| SCHEMBL10493348 | 0.76 | TP53 (0.44) | ENPEPALDH1A1TP53PMP22TSHR | |
| SCHEMBL14989024 | 0.75 | ENPEP (0.50) | ENPEPALDH1A1TP53PMP22GMNN | |
| SCHEMBL28286717 | 0.75 | ENPEP (0.45) | ENPEPALDH1A1TP53PMP22GMNN | |
| SCHEMBL11551437 | 0.75 | ENPEP (0.45) | ENPEPALDH1A1TP53PMP22GMNN | |
| SCHEMBL7582594 | 0.74 | ENPEP (0.43) | ENPEPALDH1A1TP53PMP22GMNN | |
| SCHEMBL20760887 | 0.74 | — | — | |
| SCHEMBL6958875 | 0.74 | ENPEP (0.43) | ENPEPALDH1A1TP53PMP22GMNN | |
| SCHEMBL14666393 | 0.74 | — | — |
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-20060135602-A1 | 4,4'-dithiobis(sodium 3-aminobutane-1-sulfonate)bis chlorohyrate or 4,4'-dithiobis(2,2 dimethylpropyl)-3-aminobutane-1-sulfonate)bis trifluoroacetate for example; treating arterial hypertension | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2006-06-22 | — | — | US | claimed |
| US-7235687-B2 | Derivatives of 4,4′-dithiobis-(3-aminobutane-1-sulfphonates) and compositions containing same | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2007-06-26 | — | — | US | disclosed |
| US-20060135602-A1 | 4,4'-dithiobis(sodium 3-aminobutane-1-sulfonate)bis chlorohyrate or 4,4'-dithiobis(2,2 dimethylpropyl)-3-aminobutane-1-sulfonate)bis trifluoroacetate for example; treating arterial hypertension | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2006-06-22 | — | — | 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 (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-20060135602-A1 | 4,4'-dithiobis(sodium 3-aminobutane-1-sulfonate)bis chlorohyrate or 4,4'-dithiobis(2,2 dimethylpropyl)-3-aminobutane-1-sulfonate)bis trifluoroacetate for example; treating arterial hypertension | CBS, CTH, BHMT2 | GABRP 1443/4885GABRD 1603/4885GABRA1 1052/4885 |
“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.