Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Cicletanine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Cicletanine SCHEMBL6060344 | 0.97 | MEN1 (0.36) | KDM4EMEN1CYP1A2CYP2D6CYP2C19 | |
| Cicletanine SCHEMBL637073 | 0.97 | MEN1 (0.36) | KDM4EMEN1CYP1A2CYP2D6CYP2C19 | |
| Cicletanine SCHEMBL29915570 | 0.97 | MEN1 (0.36) | KDM4EMEN1CYP1A2CYP2D6CYP2C19 | |
| Cicletanine SCHEMBL16859315 | 0.97 | MEN1 (0.36) | KDM4EMEN1CYP1A2CYP2D6CYP2C19 | |
| Cicletanine SCHEMBL49794 | 0.97 | MEN1 (0.36) | KDM4EMEN1CYP1A2CYP2D6CYP2C19 | |
| Cicletanine SCHEMBL637385 | 0.97 | MEN1 (0.36) | KDM4EMEN1CYP1A2CYP2D6CYP2C19 | |
| Cicletanine SCHEMBL29633447 | 0.96 | KDM4E (0.35) | KDM4EMEN1CYP1A2CYP2D6CYP2C19 | |
| Cicletanine SCHEMBL387011 | 0.96 | KDM4E (0.35) | KDM4EMEN1CYP1A2CYP2D6CYP2C19 | |
| Cicletanine SCHEMBL6479989 | 0.91 | MEN1 (0.35) | KDM4EMEN1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3798183 | 0.84 | KDM4E (0.36) | KDM4EMEN1CYP1A2CYP2D6CYP2C19 |
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 |