Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tecalcet. 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 | |
|---|---|---|---|---|
| ▸ | CASR known ✓ | P41180 | 13/20 | 1.00 |
| ▸ | HTR1A | P08908 | 1/20 | 0.98 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.98 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.98 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.98 |
| ▸ | HRH2 | P25021 | 1/20 | 0.98 |
| ▸ | HTR2A | P28223 | 1/20 | 0.98 |
| ▸ | HTR2C | P28335 | 1/20 | 0.98 |
| ▸ | HRH1 | P35367 | 1/20 | 0.98 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.98 |
| ▸ | DRD3 | P35462 | 1/20 | 0.98 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.98 |
| ▸ | HTR2B | P41595 | 1/20 | 0.98 |
| ▸ | HTR5A | P47898 | 1/20 | 0.98 |
| ▸ | HTR6 | P50406 | 1/20 | 0.98 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.98 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.98 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.98 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Tecalcet SCHEMBL311950 | 1.00 | CASR (1.00) | CASRHTR1AADRA2BADRA2CSLC6A2 | |
| Tecalcet SCHEMBL1275509 | 1.00 | CASR (1.00) | CASRHTR1AADRA2BADRA2CSLC6A2 | |
| Tecalcet SCHEMBL30092843 | 1.00 | CASR (1.00) | CASRHTR1AADRA2BADRA2CSLC6A2 | |
| Tecalcet SCHEMBL31424074 | 1.00 | CASR (1.00) | CASRHTR1AADRA2BADRA2CSLC6A2 | |
| Tecalcet SCHEMBL31424064 | 1.00 | CASR (1.00) | CASRHTR1AADRA2BADRA2CSLC6A2 | |
| Tecalcet SCHEMBL29374613 | 0.99 | CASR (1.00) | CASRHTR1AADRA2BADRA2CSLC6A2 | |
| Tecalcet SCHEMBL1178449 | 0.99 | CASR (1.00) | CASRHTR1AADRA2BADRA2CSLC6A2 | |
| Tecalcet SCHEMBL1178446 | 0.99 | CASR (1.00) | CASRHTR1AADRA2BADRA2CSLC6A2 | |
| SCHEMBL6222202 | 0.96 | CASR (0.93) | CASRHTR1AADRA2BADRA2CSLC6A2 | |
| SCHEMBL7355756 | 0.92 | CASR (0.84) | CASRHTR1AADRA2BADRA2CSLC6A2 |
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-8793078-B2 | Method for predicting activation energy using atomic fingerprint descriptor or atomic descriptor | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2014-07-29 | — | — | US | disclosed |
| US-20120084012-A1 | METHOD FOR PREDICTING ACTIVATION ENERGY USING ATOMIC FINGERPRINT DESCRIPTOR OR ATOMIC DESCRIPTOR | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2012-04-05 | — | — | US | disclosed |
| US-20110213558-A1 | METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2011-09-01 | — | — | US | disclosed |
| EP-2354987-A2 | METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR | Bioinformatics&Molecular Design Research Center (KR) | 2011-08-10 | — | — | EP | disclosed |
| WO-2010056053-A2 | METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR | 사단법인 분자설계연구소 (KR) | 2010-05-20 | — | — | WO | disclosed |