Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL7909257 | 0.79 | PTPN1 (0.46) | HSD11B1CYP2C19HTTEPHX2 | |
| SCHEMBL13092381 | 0.77 | TACR3 (0.44) | HPGDALDH1A1LMNA | |
| SCHEMBL13092365 | 0.76 | TACR3 (0.42) | HPGDCYP2C19TSHRALDH1A1LMNA | |
| SCHEMBL7907121 | 0.71 | ALDH1A1 (0.53) | HPGDHTTTSHRALDH1A1LMNA | |
| SCHEMBL7909169 | 0.69 | TACR3 (0.41) | ALDH1A1LMNA | |
| SCHEMBL7910246 | 0.66 | AKR1C3 (0.52) | HSD11B1HTTTSHRALDH1A1LMNA | |
| SCHEMBL7900928 | 0.64 | PTPN1 (0.46) | HSD11B1HPGDHTTTSHREPHX2 | |
| SCHEMBL13092325 | 0.64 | OPRL1 (0.42) | HSD11B1CYP2C19 | |
| SCHEMBL3107003 | 0.64 | PTPN1 (0.50) | HSD11B1HPGDTSHREPHX2 | |
| SCHEMBL3102338 | 0.64 | OPRL1 (0.53) | HPGDCYP2C19ALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |