Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 8/20 | 0.44 |
| ▸ | DRD3 | P35462 | 6/20 | 0.44 |
| ▸ | DRD2 | P14416 | 5/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10702747 | 0.89 | NPC1 (0.45) | DRD4DRD3DRD2ROCK2ROCK1 | |
| SCHEMBL10699024 | 0.75 | KMT2A (0.48) | MAPTMEN1KMT2ASMN1; SMN2GSTO1 | |
| SCHEMBL10697725 | 0.72 | SMN1; SMN2 (0.43) | MAPTMEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL10533948 | 0.72 | DRD2 (0.45) | DRD4DRD3DRD2MAPTKDM4E | |
| SCHEMBL10698234 | 0.72 | MAPT (0.44) | DRD4DRD3DRD2MAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10536220 | 0.71 | DRD2 (0.46) | DRD4DRD3DRD2MAPTKDM4E | |
| SCHEMBL10535597 | 0.65 | SIGMAR1 (0.53) | DRD4DRD2 | |
| SCHEMBL10696821 | 0.65 | MMP2 (0.52) | DRD4DRD3DRD2ROCK1MAPT | |
| SCHEMBL14127260 | 0.64 | MAOA (0.56) | — | |
| SCHEMBL6412098 | 0.62 | DRD4 (0.54) | DRD4DRD3DRD2GAAHTT |
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-0280873-A1 | Piperidines, medicines containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-09-07 | — | — | EP | disclosed |