Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Tiamenidine. 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 | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 5/20 | 0.59 |
| ▸ | HTR1B | P28222 | 4/20 | 0.52 |
| ▸ | CFB | P00751 | 5/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 8/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 7/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 7/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 7/20 | 0.51 |
| ▸ | LMNA | P02545 | 5/20 | 0.51 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.51 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.51 |
| ▸ | NISCH | Q9Y2I1 | 4/20 | 0.51 |
| ▸ | HRH2 | P25021 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | HTR1A | P08908 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.51 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Tiamenidine SCHEMBL112844 | 0.98 | HTR1D (0.60) | HTR1DHTR1BCFBADRA2CADRA2A | |
| Tiamenidine SCHEMBL122565 | 0.97 | HTR1D (0.59) | HTR1DHTR1BCFBADRA2CADRA2A | |
| Moxonidine SCHEMBL1269296 | 0.83 | ADRA2C (0.77) | HTR1DHTR1BCFBADRA2CADRA2A | |
| Tizanidine SCHEMBL8312917 | 0.82 | ADRA2A (0.77) | HTR1DHTR1BCFBADRA2CADRA2A | |
| SCHEMBL11176814 | 0.78 | ADRA2A (0.79) | HTR1DHTR1BCFBADRA2CADRA2A | |
| SCHEMBL4760243 | 0.74 | HTR1D (1.00) | HTR1DHTR1BCFBADRA2CADRA2A | |
| Hydrochloric Acid SCHEMBL29384552 | 0.73 | HTR1D (0.97) | HTR1DHTR1BCFBADRA2CADRA2A | |
| SCHEMBL11187565 | 0.71 | HTR1D (0.76) | HTR1DHTR1BCFBADRA2CADRA2A | |
| SCHEMBL14976356 | 0.71 | CFB (0.67) | HTR1DHTR1BCFBADRA2CADRA2A | |
| Clonidine SCHEMBL613364 | 0.70 | ADRA2A (0.97) | HTR1DHTR1BCFBADRA2CADRA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |