Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27189550 | 0.85 | NR4A2 (0.39) | KDM4EALDH1A1HPGDNR4A2L3MBTL1 | |
| SCHEMBL12215182 | 0.81 | ALDH1A1 (0.40) | KDM4EALDH1A1HPGDL3MBTL1CYP2C9 | |
| SCHEMBL12238398 | 0.77 | CYP2C9 (0.47) | KDM4EALDH1A1HPGDNR4A2L3MBTL1 | |
| SCHEMBL12215333 | 0.75 | KDM4E (0.47) | KDM4EALDH1A1HPGDL3MBTL1CYP2C9 | |
| SCHEMBL1472698 | 0.74 | CYP2C9 (0.61) | KDM4EALDH1A1HPGDL3MBTL1CYP2C9 | |
| SCHEMBL10326256 | 0.74 | CYP2C9 (0.47) | KDM4EALDH1A1HPGDL3MBTL1CYP2C9 | |
| SCHEMBL29616351 | 0.73 | CYP2C9 (0.47) | KDM4EALDH1A1HPGDL3MBTL1CYP2C9 | |
| Water SCHEMBL1733706 | 0.73 | CYP2C9 (0.60) | KDM4EALDH1A1HPGDL3MBTL1CYP2C9 | |
| SCHEMBL2628952 | 0.73 | CYP2C9 (0.47) | KDM4EALDH1A1HPGDNR4A2L3MBTL1 | |
| SCHEMBL1550197 | 0.73 | CYP2C9 (0.47) | KDM4EALDH1A1HPGDL3MBTL1CYP2C9 |
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-1638568-B1 | INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2011-07-27 | — | — | EP | disclosed |