Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCL12 | P48061 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TRPM5 | Q9NZQ8 | 2/20 | 0.30 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.30 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.30 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL12446542 | 0.84 | MAOB (0.42) | MAOBCYP3A4NPC1RAB9A | |
| SCHEMBL12446116 | 0.83 | GRIN1 (0.43) | CYP11B2MAOBCYP3A4NPC1RAB9A | |
| SCHEMBL13639648 | 0.80 | TRPA1 (0.43) | CXCL12CYP11B2CYP11B1SLC6A4MAOB | |
| SCHEMBL12445945 | 0.79 | NPFFR2 (0.40) | CXCL12CYP11B2CYP11B1SLC6A4 | |
| SCHEMBL2152623 | 0.78 | MAPT (0.45) | CYP3A4 | |
| SCHEMBL2152629 | 0.78 | MAPT (0.45) | CYP3A4 | |
| SCHEMBL13639667 | 0.78 | CYP11B2 (0.36) | CXCL12CYP11B2CYP11B1SLC6A4NPC1 | |
| SCHEMBL13639524 | 0.75 | DGAT1 (0.40) | NPC1RAB9A | |
| SCHEMBL13639608 | 0.73 | NPFFR1 (0.36) | CXCL12CYP11B2CYP11B1CYP3A4RAB9A | |
| SCHEMBL12446099 | 0.72 | ERN1 (0.37) | CXCL12CYP11B2CYP11B1SLC6A4RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2340021-B1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | HOFFMANN LA ROCHE (CH) | 2012-11-07 | — | — | EP | disclosed |