Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPFFR1 | Q9GZQ6 | 2/20 | 0.36 |
| ▸ | NPFFR2 | Q9Y5X5 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13639648 | 0.86 | TRPA1 (0.43) | CYP11B1CYP11B2CXCL12MAPTSMN1; SMN2 | |
| SCHEMBL12445945 | 0.85 | NPFFR2 (0.40) | NPFFR2CYP11B1CYP11B2CXCL12TP53 | |
| SCHEMBL2152020 | 0.81 | ALDH1A1 (0.38) | CYP11B1CYP11B2MAPTSMN1; SMN2CYP3A4 | |
| SCHEMBL2152012 | 0.81 | ALDH1A1 (0.38) | CYP11B1CYP11B2MAPTSMN1; SMN2CYP3A4 | |
| SCHEMBL12446116 | 0.77 | GRIN1 (0.43) | CYP11B2MAPTRAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL12446542 | 0.75 | MAOB (0.42) | RAB9ASMN1; SMN2CYP3A4MAPK1TDP1 | |
| SCHEMBL13639614 | 0.73 | CXCL12 (0.34) | CYP11B1CYP11B2CXCL12RAB9ACYP3A4 | |
| SCHEMBL13639524 | 0.73 | DGAT1 (0.40) | MAPTRAB9ASMN1; SMN2KDM4EGRIK1 | |
| SCHEMBL13639667 | 0.72 | CYP11B2 (0.36) | CYP11B1CYP11B2CXCL12MAPTRAB9A | |
| SCHEMBL29403188 | 0.69 | TSHR (0.62) | TP53RAB9ACYP3A4TSHRMAPK1 |
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 |