Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Tesmilifene. 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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.55 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.55 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.55 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.55 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.55 |
| ▸ | LTA4H | P09960 | 4/20 | 0.94 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.94 |
| ▸ | HTT | P42858 | 2/20 | 0.94 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.94 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.94 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.94 |
| ▸ | DRD3 | P35462 | 3/20 | 0.60 |
| ▸ | DRD1 | P21728 | 2/20 | 0.60 |
| ▸ | DRD2 | P14416 | 1/20 | 0.60 |
| ▸ | ESR1 | P03372 | 4/20 | 0.55 |
| ▸ | EBP | Q15125 | 3/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Tesmilifene SCHEMBL112525 | 0.97 | LTA4H (1.00) | LTA4HCYP2D6HTTCYP1A2CYP2C9 | |
| Tesmilifene SCHEMBL1650384 | 0.95 | LTA4H (0.97) | LTA4HCYP2D6HTTCYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL10503798 | 0.86 | CYP2D6 (0.79) | LTA4HCYP2D6HTTCYP1A2CYP2C9 | |
| Tesmilifene SCHEMBL2790746 | 0.85 | LTA4H (0.77) | LTA4HCYP2D6HTTCYP1A2CYP2C9 | |
| SCHEMBL4688380 | 0.84 | LTA4H (0.77) | LTA4HCYP2D6HTTCYP1A2CYP2C9 | |
| SCHEMBL12610941 | 0.83 | CYP2D6 (0.74) | LTA4HCYP2D6HTTCYP1A2CYP2C9 | |
| SCHEMBL1405290 | 0.83 | CYP2D6 (0.74) | LTA4HCYP2D6HTTCYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL10505479 | 0.81 | CYP2D6 (0.72) | LTA4HCYP2D6HTTCYP1A2CYP2C9 | |
| Bromide SCHEMBL1173547 | 0.81 | CYP2D6 (0.72) | LTA4HCYP2D6HTTCYP1A2CYP2C9 | |
| SCHEMBL9706125 | 0.81 | EBP (0.72) | LTA4HCYP2D6HTTCYP1A2CYP2C9 |
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 |