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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 SCHEMBL537028 | 0.97 | ALDH1A1 (0.40) | ALDH1A1TSHRCYP1A2CYP2C9HPGD | |
| Chloroform SCHEMBL2007196 | 0.90 | CYP1A2 (0.31) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Alcohol SCHEMBL28335960 | 0.88 | TSHR (0.38) | ALDH1A1TSHRCYP1A2CYP2C9HPGD | |
| Chloroform SCHEMBL83188 | 0.87 | CYP2C9 (0.32) | ALDH1A1CYP1A2CYP2C9HPGDMAPK1 | |
| Chloroform SCHEMBL378302 | 0.87 | LMNA (0.33) | — | |
| Alcohol SCHEMBL974601 | 0.87 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP1A2CYP2C9HPGD | |
| Alcohol SCHEMBL28117603 | 0.83 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP1A2CYP2C9HPGD | |
| Chloroform SCHEMBL7930106 | 0.83 | LMNA (0.31) | — | |
| Chloroform SCHEMBL2118727 | 0.83 | — | — | |
| Chloroform SCHEMBL1065585 | 0.83 | TSHR (0.55) | ALDH1A1TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5912179-A | IRRADIATING SAMPLE WITH SEVERAL WAVELENGTHS, DETECTING SPECTROPHOTOMETRICALLY RADIATION ABSORBED OR SCATTERED, DETERMINING RATIO OF ABSORBANCE AT SAMPLE WAVELENGTH TO ABSORBANCE AT REFERENCE WAVELENGTH; DIAGNOSIS OF TUMORS | BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) | 1999-06-15 | — | — | US | disclosed |
| US-5856196-A | RESPIRATORY SYSTEM DISORDERS | BETH ISRAEL HOSPITAL (US) | 1999-01-05 | — | — | US | disclosed |
| US-5712165-A | IRRADIATION OF FOOD SAMPLES, OPTIC DETECTION OF RADIATION ABSORPTION OR SCATTERING FROM FOOD, DETECTION ABSORBANCE AND COMPARING TO CONTROL | BETH ISRAEL HOSPITAL ADMINISTRATION (US) | 1998-01-27 | — | — | US | disclosed |
| EP-0777855-A1 | METHOD AND APPARATUS FOR DETECTING HYDROCARBON OXIDATION | Beth Israel Deaconess Medical Center, Inc. (US) | 1997-06-11 | — | — | EP | disclosed |
| WO-1996006344-A1 | METHOD AND APPARATUS FOR DETECTING HYDROCARBON OXIDATION | BETH ISRAEL HOSPITAL (US) | 1996-02-29 | — | — | WO | disclosed |
| US-5443989-A | Combining dipalmitoyal phosphatidyl choline phophoglyceride present in fetus lung with phospholipase enzyme which cleaves polar group and releases dipalmatoyl glycerol; solvent extraction, chromatography to detect glycerol quantity | BETH ISRAEL HOSPITAL ASSOCIATION (US) | 1995-08-22 | — | — | US | disclosed |