Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Coralgil. 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 | 0.49 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.49 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.49 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.49 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.49 |
| ▸ | EBP | Q15125 | 3/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 5/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Coralgil SCHEMBL317407 | 0.97 | EBP (0.61) | EBPSIGMAR1CYP2D6HTTCYP1A2 | |
| Coralgil SCHEMBL26128795 | 0.97 | EBP (0.61) | EBPSIGMAR1CYP2D6HTTCYP1A2 | |
| Coralgil SCHEMBL29989837 | 0.95 | EBP (0.59) | EBPSIGMAR1CYP2D6HTTCYP1A2 | |
| SCHEMBL9706125 | 0.82 | EBP (0.72) | EBPSIGMAR1CYP2D6HTTCYP1A2 | |
| SCHEMBL12015816 | 0.81 | KDM4E (0.67) | EBPSIGMAR1CYP2D6HTTCYP1A2 | |
| SCHEMBL2425061 | 0.79 | EBP (0.55) | EBPSIGMAR1CYP2D6HTTCYP1A2 | |
| SCHEMBL2426949 | 0.79 | EBP (0.55) | EBPSIGMAR1CYP2D6HTTCYP1A2 | |
| SCHEMBL9827594 | 0.79 | EBP (0.59) | EBPSIGMAR1CYP2D6HTTCYP1A2 | |
| SCHEMBL3420518 | 0.75 | EBP (0.64) | EBPSIGMAR1CYP2D6HTTCYP1A2 | |
| SCHEMBL12204132 | 0.75 | EBP (0.52) | EBPSIGMAR1CYP2D6HTTCYP1A2 |
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 3 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 |
| US-20090186358-A1 | Pathway Analysis of Cell Culture Phenotypes and Uses Thereof | WYETH (US) | 2009-07-23 | — | — | US | disclosed |