Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7908118 | 0.89 | ALDH1A1 (0.45) | CYP3A4CYP2D6HPGDKMT2AMEN1 | |
| SCHEMBL7906027 | 0.81 | ACACB (0.32) | CYP3A4ACACBTSHR | |
| SCHEMBL7909124 | 0.80 | BDKRB1 (0.34) | CYP3A4CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL7915500 | 0.80 | ALDH1A1 (0.42) | HPGDHRH3ALDH1A1 | |
| SCHEMBL7913727 | 0.80 | KDM4E (0.37) | CYP3A4KMT2AMEN1ALDH1A1 | |
| SCHEMBL7912463 | 0.78 | CA12 (0.37) | CYP3A4TSHRUSP2ALDH1A1 | |
| SCHEMBL7908933 | 0.78 | TSHR (0.41) | CYP3A4KMT2AMEN1CYP1A2CYP2C19 | |
| SCHEMBL7912461 | 0.75 | CYP1A2 (0.47) | CYP2D6HPGDKMT2AMEN1CYP1A2 | |
| SCHEMBL13092209 | 0.73 | USP2 (0.45) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| SCHEMBL7910802 | 0.73 | TSHR (0.39) | KMT2AMEN1TSHRALDH1A1 |
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 |