Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 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 | |
|---|---|---|---|---|
| SCHEMBL14104444 | 0.86 | PIK3CA (0.42) | CYP1A2HTTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14103889 | 0.83 | CTSA (0.36) | CYP1A2HTTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14103797 | 0.82 | HTT (0.47) | CYP1A2HTTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9881233 | 0.82 | CYP1A2 (0.61) | CYP1A2HTTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14104174 | 0.81 | HTT (0.60) | CYP1A2HTTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14103805 | 0.80 | KDM4E (0.41) | GAAKDM4EMAPTTP53SMN1; SMN2 | |
| SCHEMBL14103767 | 0.78 | HTT (0.43) | CYP1A2HTTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14103807 | 0.77 | JAK3 (0.49) | NPC1RAB9ASYK | |
| SCHEMBL14104181 | 0.77 | RXFP1 (0.55) | CYP1A2HTTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14103890 | 0.75 | ABCG2 (0.36) | CYP1A2HTTCYP3A4CYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008092861-A1 | BICYCLIC DERIVATIVES AS EP4 AGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-08-07 | — | — | WO | disclosed |