Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | HTR1A | P08908 | 3/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15416293 | 0.70 | GRIN1 (0.41) | GRIN1GRIN2AGRIN2BCYP2D6ALDH1A1 | |
| SCHEMBL14605090 | 0.65 | — | — | |
| SCHEMBL23107924 | 0.61 | ALDH1A1 (0.44) | GRIN1GRIN2AGRIN2BCYP2D6ALDH1A1 | |
| SCHEMBL3205032 | 0.61 | CYP3A4 (0.53) | CYP2D6ALDH1A1HSD17B10CYP3A4CYP1A2 | |
| SCHEMBL15416239 | 0.60 | MEN1 (0.54) | CYP2D6ALDH1A1HSD17B10CYP3A4CYP1A2 | |
| SCHEMBL5778634 | 0.60 | SMN1; SMN2 (0.48) | CYP2D6ALDH1A1CYP3A4CYP1A2MEN1 | |
| SCHEMBL18228600 | 0.59 | KDM4E (0.60) | CYP2D6ALDH1A1HSD17B10CYP3A4CYP1A2 | |
| SCHEMBL3339822 | 0.59 | KDM4E (0.60) | CYP2D6ALDH1A1HSD17B10CYP3A4CYP1A2 | |
| SCHEMBL14439707 | 0.59 | — | — | |
| SCHEMBL12821502 | 0.59 | DPP4 (0.31) | — |
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-0307303-B1 | 1-[(2-Pyrimidinyl)-aminoalkyl] piperidines, their preparation and their use in therapy | SYNTHELABO (FR) | 1991-12-04 | — | — | EP | claimed |