Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27502568 | 0.87 | KMT2A (0.35) | SLC6A4SLC6A2SLC6A3ELANECYP1A2 | |
| SCHEMBL6042278 | 0.76 | GBA1 (0.39) | SLC6A4SLC6A2SLC6A3HTT | |
| SCHEMBL27486781 | 0.70 | SSTR4 (0.32) | TSHRSSTR4HTT | |
| SCHEMBL27503612 | 0.66 | GBA1 (0.40) | SLC6A4SLC6A2SLC6A3SSTR4KMT2A | |
| SCHEMBL7560345 | 0.64 | CHRM2 (0.39) | GAAALOX12ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6041390 | 0.64 | CHRM2 (0.39) | GAAALOX12ALDH1A1CYP1A2TSHR | |
| SCHEMBL7074672 | 0.62 | MDM2 (0.33) | GAAALOX12ALDH1A1KMT2AMEN1 | |
| SCHEMBL27596960 | 0.62 | SLC6A4 (0.62) | SLC6A4SLC6A2SLC6A3ELANECYP1A2 | |
| SCHEMBL6041346 | 0.61 | CCR1 (0.37) | — | |
| SCHEMBL28286490 | 0.61 | — | — |
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-1256326-C | Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency | HOFFMANN LA ROCHE (CH) | 2006-05-17 | — | — | CN | disclosed |
| CN-1202152-A | Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency | HOFFMANN LA ROCHE (CH) | 1998-12-16 | — | — | CN | disclosed |