Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | DRD3 | P35462 | 3/20 | 0.40 |
| ▸ | DRD1 | P21728 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | DRD5 | P21918 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL27848908 | 0.93 | ATM (0.40) | ALDH1A1KDM4EDRD2DRD3DRD1 | |
| SCHEMBL2916426 | 0.92 | UBE2M (0.39) | ALDH1A1KDM4EUBE2MDCUN1D1 | |
| SCHEMBL27848836 | 0.91 | L3MBTL1 (0.48) | ALDH1A1KDM4EATML3MBTL1ACHE | |
| SCHEMBL2903669 | 0.91 | PSEN1 (0.39) | ALDH1A1KDM4EDRD2DRD3DRD1 | |
| SCHEMBL27830429 | 0.89 | KDM4E (0.36) | ALDH1A1KDM4EATML3MBTL1NPC1 | |
| SCHEMBL27830541 | 0.87 | ALDH1A1 (0.37) | ALDH1A1KDM4EATML3MBTL1NPC1 | |
| SCHEMBL28791098 | 0.87 | BCL9 (0.37) | ALDH1A1KDM4EDRD2DRD3DRD1 | |
| SCHEMBL28791095 | 0.87 | L3MBTL1 (0.42) | ALDH1A1KDM4EATML3MBTL1SMN1; SMN2 | |
| SCHEMBL27848808 | 0.87 | L3MBTL1 (0.44) | ALDH1A1KDM4EATML3MBTL1 | |
| SCHEMBL2919438 | 0.87 | CTSK (0.41) | UBE2MDCUN1D1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2212287-A1 | PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE | Janssen Pharmaceutica, N.V. (BE) | 2010-08-04 | — | — | EP | disclosed |
| WO-2009052126-A1 | PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE | JANSSEN PHARMACEUTICA, N.V. (BE) | 2009-04-23 | — | — | WO | disclosed |