Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Chloroform. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Chloroform SCHEMBL8192102 | 1.00 | TSHR (0.60) | TSHRALDH1A1LMNATDP1TP53 | |
| Chloroform SCHEMBL8927142 | 1.00 | TSHR (0.60) | TSHRALDH1A1LMNATDP1TP53 | |
| Chloroform SCHEMBL7542885 | 1.00 | TSHR (0.60) | TSHRALDH1A1LMNATDP1TP53 | |
| Chloroform SCHEMBL35119 | 1.00 | — | — | |
| Chloroform SCHEMBL7542887 | 1.00 | TSHR (0.60) | TSHRALDH1A1LMNATDP1TP53 | |
| Chloroform SCHEMBL7768433 | 1.00 | TSHR (0.60) | TSHRALDH1A1LMNATDP1TP53 | |
| Chloroform SCHEMBL8927139 | 1.00 | TSHR (0.60) | TSHRALDH1A1LMNATDP1TP53 | |
| Chloroform SCHEMBL2819782 | 1.00 | TSHR (0.60) | TSHRALDH1A1LMNATDP1TP53 | |
| Chloroform SCHEMBL2118727 | 0.95 | — | — | |
| Chloroform SCHEMBL6974119 | 0.95 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6160126-A | Synthetic Intermediates for the preparation of N, N'-Di-substituted isothiourea derivatives and N-cyclic(methyl)-N'-Substituted isothiourea derivatives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-12-12 | — | — | US | disclosed |
| US-5696256-A | CHEMICAL INTERMEDIATE FOR INSECTICIDES; MITICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-12-09 | — | — | US | disclosed |
| EP-0452782-B1 | Novel intermediates for preparing guanidine derivatives, their preparation and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-01-15 | — | — | EP | disclosed |
| EP-0452782-A1 | Novel intermediates for preparing guanidine derivatives, their preparation and use | Takeda Chemical Industries, Ltd. (JP) | 1991-10-23 | — | — | EP | disclosed |
| EP-0394484-A1 | BENZOTHIADIAZEPINE DERIVATIVES | TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) | 1990-10-31 | — | — | EP | disclosed |