Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | NEK2 | P51955 | 4/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 8/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | RHOA | P61586 | 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 | |
|---|---|---|---|---|
| SCHEMBL18248384 | 0.73 | KDM4E (0.68) | KDM4EHSD17B10CYP2C19USP2HPGD | |
| SCHEMBL13965560 | 0.73 | KDM4E (0.54) | KDM4EHSD17B10CYP2C19USP2HPGD | |
| SCHEMBL30584726 | 0.72 | KDM4E (0.53) | KDM4EHSD17B10CYP2C19USP2HPGD | |
| SCHEMBL237457 | 0.71 | KDM4E (0.55) | KDM4EHSD17B10CYP2C19USP2HPGD | |
| SCHEMBL1439951 | 0.71 | MAPT (0.52) | KDM4EHSD17B10USP2HPGDNPSR1 | |
| Hydrochloric Acid SCHEMBL28067247 | 0.70 | CHRNB2 (0.46) | KDM4EHSD17B10CYP2C19HPGDALDH1A1 | |
| SCHEMBL239335 | 0.70 | LMNA (0.55) | KDM4EHSD17B10CYP2C19USP2HPGD | |
| SCHEMBL31381257 | 0.70 | LMNA (0.55) | KDM4EHSD17B10CYP2C19USP2HPGD | |
| SCHEMBL4890730 | 0.70 | LMNA (0.51) | KDM4EHSD17B10CYP2C19USP2HPGD | |
| SCHEMBL24042806 | 0.69 | KDM4E (0.56) | KDM4EHSD17B10CYP2C19USP2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-102482259-B | Pyrrolidine derivatives as nk3 receptor antagonists | HOFFMANN LA ROCHE | 2014-09-17 | — | — | CN | disclosed |
| CN-102482259-A | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE | 2012-05-30 | — | — | CN | disclosed |