Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Talastine. 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 | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 8/20 | 0.78 |
| ▸ | HRH1 | P35367 | 8/20 | 0.78 |
| ▸ | ADRA1B | P35368 | 8/20 | 0.78 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Talastine SCHEMBL30502 | 0.97 | ADRA1A (0.81) | ADRA1AHRH1ADRA1BHRH3TSHR | |
| Talastine SCHEMBL29350005 | 0.97 | ADRA1A (0.81) | ADRA1AHRH1ADRA1BHRH3TSHR | |
| Talastine SCHEMBL13724065 | 0.81 | HRH1 (0.58) | ADRA1AHRH1ADRA1BHRH3TSHR | |
| SCHEMBL10482471 | 0.80 | ADRA1A (0.61) | ADRA1AHRH1ADRA1BHRH3TSHR | |
| SCHEMBL16363659 | 0.80 | TSHR (0.64) | ADRA1AHRH1ADRA1BHRH3TSHR | |
| SCHEMBL12877772 | 0.79 | TSHR (0.71) | ADRA1AHRH1ADRA1BHRH3TSHR | |
| SCHEMBL10700249 | 0.77 | ADRA1A (0.57) | ADRA1AHRH1ADRA1BHRH3TSHR | |
| SCHEMBL8556390 | 0.76 | ENPP1 (0.65) | ADRA1AHRH1ADRA1BTSHRCYP1A2 | |
| SCHEMBL12862542 | 0.76 | TSHR (0.66) | ADRA1AHRH1ADRA1BHRH3TSHR | |
| SCHEMBL3974796 | 0.76 | SMN1; SMN2 (0.64) | ADRA1AHRH1ADRA1BTSHRCYP1A2 |
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 |