Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 13/20 | 0.94 |
| ▸ | CA1 | P00915 | 13/20 | 0.94 |
| ▸ | CA9 | Q16790 | 13/20 | 0.94 |
| ▸ | CA2 | P00918 | 12/20 | 0.94 |
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 0.94 |
| ▸ | EHMT1 | Q9H9B1 | 3/20 | 0.94 |
| ▸ | CA4 | P22748 | 2/20 | 0.94 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | GSDMD | P57764 | 2/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 4/20 | 0.46 |
| ▸ | PHGDH | O43175 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
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 SCHEMBL28605165 | 0.97 | CA12 (0.88) | CA12CA1CA9CA2EHMT2 | |
| Ditiocarb SCHEMBL43743 | 0.94 | — | — | |
| Ditiocarb SCHEMBL10539605 | 0.94 | CA12 (0.94) | CA12CA1CA9CA2EHMT2 | |
| Ditiocarb SCHEMBL672398 | 0.94 | CA12 (0.94) | CA12CA1CA9CA2EHMT2 | |
| Ditiocarb SCHEMBL168133 | 0.94 | — | — | |
| Ditiocarb SCHEMBL25284942 | 0.94 | CA12 (0.94) | CA12CA1CA9CA2EHMT2 | |
| Ditiocarb SCHEMBL1765979 | 0.94 | CA12 (0.94) | CA12CA1CA9CA2EHMT2 | |
| Ditiocarb SCHEMBL48605 | 0.94 | CA12 (0.94) | CA12CA1CA9CA2EHMT2 | |
| Ditiocarb SCHEMBL22372292 | 0.94 | — | — | |
| Ditiocarb SCHEMBL3685439 | 0.94 | CA12 (0.94) | CA12CA1CA9CA2EHMT2 |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115746614-A | Synthesis method of novel corrosion-resistant high-throwing-power cathode electrophoretic coating | 浙江同盈新材料科技有限公司 | 2023-03-07 | — | — | CN | claimed |
| CN-114316661-A | Synthesis method of corrosion-resistant high-throwing-power film type cathode electrophoretic paint | 枣阳市旺前电泳涂料有限公司 | 2022-04-12 | — | — | CN | claimed |
| CN-112552785-B | Anti-shrinkage cathode electrophoretic coating composition and preparation method thereof | 上海瑞君电泳涂料有限公司 | 2022-04-05 | — | — | CN | claimed |
| CN-112552785-A | Anti-shrinkage cathode electrophoretic coating composition and preparation method thereof | 上海瑞君电泳涂料有限公司 | 2021-03-26 | — | — | CN | claimed |
| EP-0797543-B1 | PROCESS FOR THE TREATMENT OF METAL-CONTAINING WATER AND RECOVERY OF METALS THEREFROM | BUCKMAN LABOR INC (US) | 1999-07-14 | — | — | EP | claimed |
| EP-0737086-B1 | COMPOSITION AND PROCESS FOR REDUCING OR PREVENTING METAL AND ACID CONTAMINATION IN ROCK DRAINAGE | BUCKMAN LABOR INC (US) | 1998-07-29 | — | — | EP | claimed |
| EP-0797543-A1 | PROCESS FOR THE TREATMENT OF METAL-CONTAINING WATER AND RECOVERY OF METALS THEREFROM | BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) | 1997-10-01 | — | — | EP | claimed |
| EP-0737086-A1 | COMPOSITION AND PROCESS FOR REDUCING OR PREVENTING METAL AND ACID CONTAMINATION IN ROCK DRAINAGE | BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) | 1996-10-16 | — | — | EP | claimed |
| US-5505857-A | ADJUSTMENT PH; WATER POLLUTION CONTROL | BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) | 1996-04-09 | — | — | US | claimed |
| WO-1995019320-A1 | PROCESS FOR THE TREATMENT OF METAL-CONTAINING WATER AND RECOVERY OF METALS THEREFROM | BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) | 1995-07-20 | — | — | WO | claimed |
| WO-1995017927-A1 | COMPOSITION AND PROCESS FOR REDUCING OR PREVENTING METAL AND ACID CONTAMINATION IN ROCK DRAINAGE | BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) | 1995-07-06 | — | — | WO | claimed |
| US-4298508-A | MERCAPTAN-CONTAINING | PHILLIPS PETROLEUM COMPANY (US) | 1981-11-03 | — | — | US | claimed |
| US-4224200-A | Polymer curing system, air-curable composition and method of preparing the composition | PHILLIPS PETROLEUM COMPANY (US) | 1980-09-23 | — | — | US | claimed |
| EP-0012182-A1 | Air curable, one package sealing composition, curing system, and method for curing mercaptan group-containing base materials | PHILLIPS PETROLEUM COMPANY (US) | 1980-06-25 | — | — | EP | claimed |
| CN-115746614-A | Synthesis method of novel corrosion-resistant high-throwing-power cathode electrophoretic coating | 浙江同盈新材料科技有限公司 | 2023-03-07 | — | — | CN | disclosed |
| CN-115746614-A | Synthesis method of novel corrosion-resistant high-throwing-power cathode electrophoretic coating | 浙江同盈新材料科技有限公司 | 2023-03-07 | — | — | CN | disclosed |
| CN-109111463-B | Method for producing aromatic compound | DIC株式会社 | 2022-07-01 | — | — | CN | disclosed |
| US-4298508-A | MERCAPTAN-CONTAINING | PHILLIPS PETROLEUM COMPANY (US) | 1981-11-03 | — | — | US | disclosed |
| US-4224200-A | Polymer curing system, air-curable composition and method of preparing the composition | PHILLIPS PETROLEUM COMPANY (US) | 1980-09-23 | — | — | US | disclosed |
| EP-0012182-A1 | Air curable, one package sealing composition, curing system, and method for curing mercaptan group-containing base materials | PHILLIPS PETROLEUM COMPANY (US) | 1980-06-25 | — | — | EP | disclosed |