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 | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.30 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.30 |
| ▸ | PTPN9 | P43378 | 1/20 | 0.34 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALPG | P10696 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | CX3CR1 | P49238 | 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 | |
|---|---|---|---|---|
| SCHEMBL19362158 | 0.99 | POLB (0.34) | PTPN9ALPLPOLBALPGALOX15 | |
| SCHEMBL10615720 | 0.93 | PTPN9 (0.35) | PTPN9ALPLPOLBALPGALOX15 | |
| SCHEMBL157144 | 0.90 | TSHR (0.37) | POLBALOX15HPGDKDM4EALDH1A1 | |
| SCHEMBL4729408 | 0.74 | TSHR (0.37) | PTPN9POLBALOX15ALDH1A1TSHR | |
| SCHEMBL4663927 | 0.73 | KMT2A (0.35) | HPGDALDH1A1TDP1PTGS1 | |
| SCHEMBL2797912 | 0.71 | KDM4E (0.42) | POLBHPGDKDM4EALDH1A1TSHR | |
| SCHEMBL487951 | 0.71 | LMNA (0.43) | POLBALOX15HPGDKDM4EALDH1A1 | |
| SCHEMBL2799841 | 0.71 | ALDH1A1 (0.44) | POLBHPGDKDM4EALDH1A1ADRB2 | |
| Ethylenediamine SCHEMBL5159409 | 0.70 | TSHR (0.40) | PTPN9ALPLPOLBALPGHPGD | |
| Ethylenediamine SCHEMBL7181567 | 0.69 | HPGD (0.40) | PTPN9ALPLPOLBALPGHPGD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1413197-A2 | Method of preparation of a stomach-action molluscicides | Young, Colin Leslie (AU) | 2004-04-28 | — | — | EP | disclosed |
| US-6447794-B2 | INCLUDING A METAL COMPLEXONE AS AN ACTIVE INGREDIENT; SUCH AS IRON AND CALCIUM WITH ETHYLENEDIAMINETETRAACETIC ACID (EDTA) | Young, Colin Leslie (AU) | 2002-09-10 | — | — | US | disclosed |
| US-20020006426-A1 | Stomach-action molluscicides | YOUNG, COLIN LESLIE (AU) | 2002-01-17 | — | — | US | disclosed |
| US-6093416-A | COMPRISING AN IRON COMPLEXES OF ETHYLENEDIAMINETETRAACETIC ACID | YOUNG, COLIN LESLIE (AU) | 2000-07-25 | — | — | US | disclosed |
| EP-0921726-A4 | STOMACH-ACTION MOLLUSCICIDES | YOUNG COLIN LESLIE (AU) | 2000-06-21 | — | — | EP | disclosed |
| EP-0921726-A1 | STOMACH-ACTION MOLLUSCICIDES | Young, Colin Leslie (AU) | 1999-06-16 | — | — | EP | disclosed |
| WO-1997026789-A1 | STOMACH-ACTION MOLLUSCICIDES | YOUNG COLIN LESLIE (AU) | 1997-07-31 | — | — | 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-20020006426-A1 | Stomach-action molluscicides | HRH2, MDH1, OGDH | GABRA1 2954/4885GABRB2 1933/4885PTGS1 1167/4885 |
“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.