Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 12/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 12/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | TDP2 | O95551 | 2/20 | 0.44 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.44 |
| ▸ | BTK | Q06187 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4795842 | 0.80 | GABRA1 (0.54) | NISCHNPY5RLMNAMAPTHPGD | |
| SCHEMBL13635598 | 0.74 | ALPL (0.50) | NISCHCYP1A2ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL16796687 | 0.72 | CYP11B1 (0.48) | ALDH1A1CYP11B1CYP11B2CYP19A1MAPT | |
| SCHEMBL16661272 | 0.71 | PIK3CD (0.41) | CYP1A2ALDH1A1CYP3A4CYP2A6KDM4E | |
| SCHEMBL9855192 | 0.71 | NISCH (0.53) | NISCHNPY5RMETAP2MAPTHSD17B10 | |
| SCHEMBL17011756 | 0.70 | CYP1A2 (0.48) | CYP1A2ALDH1A1CYP3A4CYP2A6CYP11B1 | |
| SCHEMBL2427129 | 0.69 | NISCH (1.00) | NISCHCYP1A2ALDH1A1CYP3A4CYP2A6 | |
| SCHEMBL4789227 | 0.69 | GABRA1 (0.37) | SMN1; SMN2 | |
| SCHEMBL9855447 | 0.69 | NISCH (0.47) | NISCHALDH1A1LMNAMAPTALOX15 | |
| SCHEMBL3161806 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0839144-B1 | PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS | KNOLL GMBH (DE) | 2001-09-19 | — | — | EP | claimed |