Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Taurochenodeoxycholate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 8/20 | 0.84 |
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.84 |
| ▸ | SLC10A2 | Q12908 | 3/20 | 0.84 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.84 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.84 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.84 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.84 |
| ▸ | TSHR | P16473 | 1/20 | 0.79 |
| ▸ | RAB9A | P51151 | 1/20 | 0.79 |
| ▸ | LMNA | P02545 | 1/20 | 0.79 |
| ▸ | BLM | P54132 | 1/20 | 0.79 |
| ▸ | SLC10A1 | Q14973 | 3/20 | 0.76 |
| ▸ | CA1 | P00915 | 3/20 | 0.70 |
| ▸ | CA2 | P00918 | 3/20 | 0.70 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| Taurochenodeoxycholate SCHEMBL9070400 | 1.00 | GPBAR1 (0.84) | GPBAR1NR1H4SLC10A2ABCB11ENPP2 | |
| Taurochenodeoxycholate SCHEMBL29481129 | 0.98 | GPBAR1 (0.84) | GPBAR1NR1H4SLC10A2ABCB11ENPP2 | |
| Taurochenodeoxycholate SCHEMBL9068987 | 0.98 | GPBAR1 (0.84) | GPBAR1NR1H4SLC10A2ABCB11ENPP2 | |
| Taurochenodeoxycholate SCHEMBL30341854 | 0.98 | GPBAR1 (0.84) | GPBAR1NR1H4SLC10A2ABCB11ENPP2 | |
| Taurochenodeoxycholate SCHEMBL20261732 | 0.98 | GPBAR1 (0.84) | GPBAR1NR1H4SLC10A2ABCB11ENPP2 | |
| Taurochenodeoxycholate SCHEMBL10695686 | 0.98 | GPBAR1 (0.84) | GPBAR1NR1H4SLC10A2ABCB11ENPP2 | |
| Taurochenodeoxycholate SCHEMBL60964 | 0.98 | GPBAR1 (0.84) | GPBAR1NR1H4SLC10A2ABCB11ENPP2 | |
| Taurochenodeoxycholate SCHEMBL10695689 | 0.98 | GPBAR1 (0.84) | GPBAR1NR1H4SLC10A2ABCB11ENPP2 | |
| Taurochenodeoxycholate SCHEMBL9070059 | 0.98 | GPBAR1 (0.84) | GPBAR1NR1H4SLC10A2ABCB11ENPP2 | |
| Taurochenodeoxycholate SCHEMBL29461502 | 0.98 | GPBAR1 (0.84) | GPBAR1NR1H4SLC10A2ABCB11ENPP2 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130336955-A1 | ANTIMICROBIAL FUSION COMPOUNDS AND USES THEREOF | VALIANT BIOPHARMA SDN BHD (MY) | 2013-12-19 | — | — | US | claimed |
| US-5578304-A | Compositions of digestive enzymes and salts of bile acids and process for preparation thereof | DIGESTIVE CARE INC. (US) | 1996-11-26 | — | — | US | claimed |
| US-5460812-A | Comprising buffer, disintegrant, adhesive polymer and acid resistant polymeric coating; for digestion, liver disorders, cystic fibrosis, dissolving gallstones | DIGESTIVE CARE INC. (US) | 1995-10-24 | — | — | US | claimed |
| CN-112871075-B | CO (carbon monoxide)2/N2Stimulation response type bile salt composite emulsifier | 江南大学 | 2021-12-28 | — | — | CN | disclosed |
| CN-112871075-A | CO (carbon monoxide)2/N2Stimulation response type bile salt composite emulsifier | 江南大学 | 2021-06-01 | — | — | CN | disclosed |
| EP-2661451-B1 | ANTIMICROBIAL FUSION COMPOUNDS AND USES THEREOF | VALIANT BIOPHARMA SDN BHD (MY) | 2019-10-09 | — | — | EP | disclosed |
| US-20160068829-A1 | ANTIMICROBIAL FUSION COMPOUNDS AND USES THEREOF | VALIANT BIOPHARMA SDN BHD (MY) | 2016-03-10 | — | — | US | disclosed |
| US-9155800-B2 | Antimicrobial fusion compounds and uses thereof | VALIANT BIOPHARMA SDN BHD (MY) | 2015-10-13 | — | — | US | disclosed |
| US-20150284438-A1 | DOSAGE REGIME OF FUSION COMPOUNDS | BIOVALENCE SDN. BHD. (MY) | 2015-10-08 | — | — | US | disclosed |
| US-20150202250-A1 | ANTICANCER TREATMENT | BIOVALENCE SDN. BHD. (MY) | 2015-07-23 | — | — | US | disclosed |
| US-20130336955-A1 | ANTIMICROBIAL FUSION COMPOUNDS AND USES THEREOF | VALIANT BIOPHARMA SDN BHD (MY) | 2013-12-19 | — | — | US | disclosed |
| EP-2385826-A2 | METHODS AND MATERIALS FOR DELIVERING BILE ACIDS | Mayo Foundation for Medical Education and Research (US) | 2011-11-16 | — | — | EP | disclosed |
| US-20110268794-A1 | METHODS AND MATERIALS FOR DELIVERING BILE ACIDS | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH | 2011-11-03 | — | — | US | disclosed |
| US-8040957-B2 | Adaptive filtering based upon boundary strength | SHARP KABUSHIKI KAISHA (JP) | 2011-10-18 | — | — | US | disclosed |
| WO-2010080730-A2 | METHODS AND MATERIALS FOR DELIVERING BILE ACIDS | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2010-07-15 | — | — | WO | disclosed |
| US-5578304-A | Compositions of digestive enzymes and salts of bile acids and process for preparation thereof | DIGESTIVE CARE INC. (US) | 1996-11-26 | — | — | US | disclosed |