Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Ditiocarb. 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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 13/20 | 0.94 |
| ▸ | CA1 known ✓ | P00915 | 13/20 | 0.94 |
| ▸ | CA2 known ✓ | P00918 | 13/20 | 0.94 |
| ▸ | CA4 known ✓ | P22748 | 3/20 | 0.94 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.46 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.43 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 13/20 | 0.94 |
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 0.94 |
| ▸ | EHMT1 | Q9H9B1 | 3/20 | 0.94 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | GSDMD | P57764 | 2/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | PHGDH | O43175 | 3/20 | 0.43 |
| ▸ | MGLL | Q99685 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Ditiocarb SCHEMBL168133 | 0.97 | — | — | |
| Ditiocarb SCHEMBL1764534 | 0.97 | CA12 (0.94) | CA12CA9CA1CA2EHMT2 | |
| Ditiocarb SCHEMBL5675143 | 0.97 | CA12 (1.00) | CA12CA9CA1CA2EHMT2 | |
| Ditiocarb SCHEMBL165774 | 0.94 | CA12 (0.94) | CA12CA9CA1CA2EHMT2 | |
| Ditiocarb SCHEMBL13858013 | 0.94 | CA12 (0.94) | CA12CA9CA1CA2EHMT2 | |
| Ditiocarb SCHEMBL11657594 | 0.94 | CA12 (0.94) | CA12CA9CA1CA2EHMT2 | |
| Ditiocarb SCHEMBL21990203 | 0.94 | CA12 (0.94) | CA12CA9CA1CA2EHMT2 | |
| Ditiocarb SCHEMBL22160750 | 0.94 | CA12 (0.94) | CA12CA9CA1CA2EHMT2 | |
| Ditiocarb SCHEMBL18221922 | 0.94 | CA12 (0.94) | CA12CA9CA1CA2EHMT2 | |
| Ditiocarb SCHEMBL13858016 | 0.94 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11007273-B2 | Prochelators as targeted prodrugs for prostate cancer and methods of making and using same | DUKE UNIVERSITY (US) | 2021-05-18 | — | — | US | disclosed |
| US-20200171160-A1 | PROCHELATORS AS TARGETED PRODRUGS FOR PROSTATE CANCER AND METHODS OF MAKING AND USING SAME | DUKE UNIVERSITY | 2020-06-04 | — | — | 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-11007273-B2 | Prochelators as targeted prodrugs for prostate cancer and methods of making and using same | FOLH1, FAP, BPHL | CA12 825/4885CA1 1275/4885CA2 2369/4885 |
| US-20200171160-A1 | PROCHELATORS AS TARGETED PRODRUGS FOR PROSTATE CANCER AND METHODS OF MAKING AND USING SAME | FOLH1, FAP, BPHL | CA12 825/4885CA1 1275/4885CA2 2369/4885 |
“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.