Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | CCNC | P24863 | 2/20 | 0.40 |
| ▸ | CDK8 | P49336 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4438513 | 0.87 | KDM4E (0.47) | SLC6A3SLC6A2SLC6A4CYP1A2ALDH1A1 | |
| SCHEMBL4430746 | 0.86 | CYP1A2 (0.48) | SLC6A3SLC6A2SLC6A4CYP1A2ALDH1A1 | |
| SCHEMBL4437699 | 0.85 | SLC6A3 (0.55) | SLC6A3SLC6A2SLC6A4CYP1A2ALDH1A1 | |
| SCHEMBL4439655 | 0.82 | MAPK8 (0.45) | ALDH1A1KDM4EGLAGAAPDE3B | |
| SCHEMBL4428291 | 0.81 | KDM4E (0.48) | SLC6A3SLC6A2SLC6A4CYP1A2ALDH1A1 | |
| SCHEMBL4433382 | 0.78 | ALDH1A1 (0.67) | SLC6A3SLC6A2SLC6A4CYP1A2ALDH1A1 | |
| SCHEMBL4431808 | 0.78 | KDM4E (0.50) | CYP1A2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL4426834 | 0.77 | ALDH1A1 (0.54) | CYP1A2ALDH1A1HSD17B10KDM4EGLA | |
| SCHEMBL4432962 | 0.75 | MDM2 (0.42) | ALDH1A1HPGDKDM4EGAAPDE3B | |
| SCHEMBL16683936 | 0.75 | SLC6A3 (1.00) | SLC6A3SLC6A2SLC6A4CYP1A2ALDH1A1 |
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 |