Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 1/20 | 0.48 |
| ▸ | TACR3 | P29371 | 4/20 | 0.47 |
| ▸ | LCAT | P04180 | 2/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.42 |
| ▸ | PANK3 | Q9H999 | 2/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.41 |
| ▸ | JAK2 | O60674 | 3/20 | 0.41 |
| ▸ | JAK1 | P23458 | 3/20 | 0.41 |
| ▸ | JAK3 | P52333 | 3/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 2/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 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 | |
|---|---|---|---|---|
| SCHEMBL2017867 | 0.80 | PANK3 (0.57) | RETTACR3RIPK1GRM2PANK3 | |
| SCHEMBL22279735 | 0.75 | KCNH2 (0.52) | KCNH2GPR119PANK3 | |
| SCHEMBL22489206 | 0.73 | PANK3 (0.74) | PANK3 | |
| SCHEMBL18855709 | 0.73 | AR (0.46) | LCATRIPK1KCNH2GPR119PANK3 | |
| SCHEMBL12604585 | 0.73 | TACR3 (0.59) | TACR3RIPK1 | |
| SCHEMBL24242896 | 0.72 | AR (0.49) | LCATRIPK1KCNH2GPR119PANK3 | |
| SCHEMBL22324960 | 0.71 | DRD2 (0.45) | GRM2DRD2 | |
| SCHEMBL20347033 | 0.69 | MAOB (0.51) | GPR119PANK3 | |
| SCHEMBL28551998 | 0.69 | CNR2 (0.43) | RIPK1KCNH2GPR119PANK3CHEK1 | |
| SCHEMBL20355455 | 0.69 | PIM1 (0.46) | RETRIPK1KCNH2GPR119PANK3 |
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-2513084-A1 | PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073160-A1 | PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | WO | disclosed |