Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol
The experimentally established mechanism targets of Velnacrine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.69 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.69 |
| ▸ | ACHE | P22303 | 1/20 | 0.69 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| Velnacrine SCHEMBL7193446 | 0.92 | TSHR (0.83) | TSHRCYP1A2CYP2C9ALDH1A1NR3C1 | |
| Velnacrine SCHEMBL637476 | 0.92 | TSHR (0.83) | TSHRCYP1A2CYP2C9ALDH1A1NR3C1 | |
| Velnacrine SCHEMBL50846 | 0.92 | TSHR (0.83) | TSHRCYP1A2CYP2C9ALDH1A1NR3C1 | |
| Velnacrine SCHEMBL9634108 | 0.90 | TSHR (0.81) | TSHRCYP1A2CYP2C9ALDH1A1NR3C1 | |
| Velnacrine SCHEMBL14814443 | 0.88 | TSHR (0.77) | TSHRCYP1A2CYP2C9ALDH1A1NR3C1 | |
| Velnacrine SCHEMBL194467 | 0.83 | CYP1A2 (1.00) | TSHRCYP1A2CYP2C9ALDH1A1NR3C1 | |
| Fumaric Acid SCHEMBL9874303 | 0.78 | ACHE (0.60) | TSHRCYP1A2CYP2C9ALDH1A1NR3C1 | |
| Maleic Acid SCHEMBL9874286 | 0.78 | ACHE (0.60) | TSHRCYP1A2CYP2C9ALDH1A1NR3C1 | |
| Maleic Acid SCHEMBL9875733 | 0.77 | ACHE (0.58) | TSHRCYP1A2CYP2C9ALDH1A1NR3C1 | |
| Fumaric Acid SCHEMBL9875742 | 0.77 | ACHE (0.58) | TSHRCYP1A2CYP2C9ALDH1A1NR3C1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050000529-A1 | Method and compositions for imparting cooling effect to tobacco products | VECTOR TOBACCO INC. | 2005-01-06 | — | — | US | claimed |
| EP-1455609-A2 | METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS | Vector Tobacco Inc. (US) | 2004-09-15 | — | — | EP | claimed |
| WO-2003053176-A2 | METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS | VECTOR TOBACCO INC. (US) | 2003-07-03 | — | — | WO | claimed |
| US-20050000529-A1 | Method and compositions for imparting cooling effect to tobacco products | VECTOR TOBACCO INC. | 2005-01-06 | — | — | US | disclosed |
| EP-1455609-A2 | METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS | Vector Tobacco Inc. (US) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003053176-A2 | METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS | VECTOR TOBACCO INC. (US) | 2003-07-03 | — | — | WO | disclosed |