Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4433888 | 0.87 | KDM4E (0.53) | KDM4ESMN1; SMN2ALDH1A1GAARXFP1 | |
| SCHEMBL4431012 | 0.86 | SLC6A3 (0.58) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL4430819 | 0.84 | BRS3 (0.46) | KDM4ESLC6A4SLC6A3BRS3 | |
| SCHEMBL4438825 | 0.83 | BRS3 (0.42) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL4430684 | 0.83 | RXRA (0.41) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL4431596 | 0.79 | KDM4E (0.45) | CYP1A2KDM4EPTGER3MEN1KMT2A | |
| SCHEMBL4429595 | 0.78 | KDM4E (0.40) | KDM4EMCL1SMN1; SMN2MAPTMAPK1 | |
| SCHEMBL4428820 | 0.76 | KDM4E (0.47) | TSHRKDM4ESMN1; SMN2ALDH1A1GAA | |
| SCHEMBL4431905 | 0.76 | KDM4E (0.69) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL4432530 | 0.76 | KDM4E (0.47) | TSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2125739-A1 | MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008079371-A1 | MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-07-03 | — | — | WO | disclosed |