Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.45 |
| ▸ | CFB | P00751 | 2/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11488897 | 0.91 | KDM4E (0.56) | DRD2DRD4DRD3KDM4EALDH1A1 | |
| SCHEMBL24365232 | 0.91 | KDM4E (0.56) | DRD2DRD4DRD3KDM4EALDH1A1 | |
| SCHEMBL2172790 | 0.85 | CHRNB2 (0.53) | DRD2DRD4DRD3KDM4EALDH1A1 | |
| SCHEMBL22201130 | 0.85 | CHRNB2 (0.53) | DRD2DRD4DRD3KDM4EALDH1A1 | |
| SCHEMBL5554042 | 0.84 | CCR5 (0.48) | DRD2DRD4DRD3KDM4EALDH1A1 | |
| SCHEMBL23064641 | 0.83 | DRD2 (0.54) | DRD2DRD4DRD3KDM4EALDH1A1 | |
| SCHEMBL2047049 | 0.82 | HTR1A (0.49) | DRD2DRD4DRD3KDM4EALDH1A1 | |
| SCHEMBL28100926 | 0.81 | ALDH1A1 (0.60) | DRD2DRD4DRD3KDM4EALDH1A1 | |
| SCHEMBL6992820 | 0.79 | KDM4E (0.47) | DRD2DRD4DRD3KDM4EALDH1A1 | |
| SCHEMBL24697142 | 0.79 | GBA1 (0.49) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5489599-A | FUNGICIDES | SHELL RESEARCH LIMITED (GB) | 1996-02-06 | — | — | US | disclosed |
| WO-1992012130-A1 | PIPERIDINE DERIVATIVES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1992-07-23 | — | — | WO | disclosed |
| EP-0494717-A1 | Piperidine derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-07-15 | — | — | EP | disclosed |