Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | TPMT | P51580 | 1/20 | 0.35 |
| ▸ | GRN | P28799 | 3/20 | 0.35 |
| ▸ | SORT1 | Q99523 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.33 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27664162 | 0.89 | HCAR1 (0.39) | CNR2GAAAKR1C3AKR1C2FFAR2 | |
| SCHEMBL13363407 | 0.80 | FFAR2 (0.50) | CNR2FFAR2POLBALDH1A1LMNA | |
| SCHEMBL1203024 | 0.77 | CNR2 (0.42) | CNR2GAAAKR1C3AKR1C2TPMT | |
| SCHEMBL1873646 | 0.77 | AKR1C3 (0.56) | CNR2GAAAKR1C3AKR1C2TPMT | |
| SCHEMBL25460811 | 0.76 | SLC6A3 (0.40) | GAAFFAR2ALDH1A1LTB4RLTB4R2 | |
| SCHEMBL5788966 | 0.76 | MAPT (0.55) | GAAALDH1A1LMNAMAPT | |
| SCHEMBL1869889 | 0.76 | CNR2 (0.51) | CNR2GAAAKR1C3AKR1C2TPMT | |
| SCHEMBL30443832 | 0.76 | TSHR (0.44) | POLBALDH1A1LTB4RLTB4R2LMNA | |
| SCHEMBL9175649 | 0.75 | MAPT (0.52) | CNR2GAAAKR1C3AKR1C2TPMT | |
| SCHEMBL25460807 | 0.72 | CNR2 (0.35) | CNR2CNR1ALDH1A1LTB4RLTB4R2 |
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-2148857-B1 | PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTORS ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-07-28 | — | — | EP | disclosed |