Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.62 |
| ▸ | DRD4 | P21917 | 4/20 | 0.62 |
| ▸ | DRD3 | P35462 | 4/20 | 0.62 |
| ▸ | GMNN | O75496 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.52 |
| ▸ | HTR2A | P28223 | 2/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8409408 | 0.88 | DRD2 (0.66) | DRD2DRD4DRD3GMNNALDH1A1 | |
| SCHEMBL8792792 | 0.88 | KDM4E (0.51) | DRD2DRD4DRD3GMNNALDH1A1 | |
| SCHEMBL5859715 | 0.84 | KDM4E (0.57) | DRD2KDM4EHSD17B10SIGMAR1HTR2A | |
| SCHEMBL12516846 | 0.83 | DRD2 (0.60) | DRD2DRD4DRD3GMNNALDH1A1 | |
| SCHEMBL12516842 | 0.83 | DRD2 (0.60) | DRD2DRD4DRD3GMNNALDH1A1 | |
| SCHEMBL19831677 | 0.83 | DRD2 (0.60) | DRD2DRD4DRD3GMNNALDH1A1 | |
| Hydrochloric Acid SCHEMBL2223967 | 0.82 | DRD2 (0.59) | DRD2DRD4DRD3GMNNALDH1A1 | |
| Hydrochloric Acid SCHEMBL14632762 | 0.82 | DRD2 (0.59) | DRD2DRD4DRD3GMNNALDH1A1 | |
| SCHEMBL8409426 | 0.80 | DRD2 (0.66) | DRD2DRD4DRD3GMNNALDH1A1 | |
| SCHEMBL8795583 | 0.80 | DRD2 (0.66) | DRD2DRD4DRD3GMNNALDH1A1 |
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-5866589-A | Alkyl substituted piperadinyl and piperazinyl anti-AIDS compounds | PHARMACIA & UPJOHN COMPANY (US) | 1999-02-02 | — | — | US | disclosed |
| EP-0797576-A1 | ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 1997-10-01 | — | — | EP | disclosed |
| WO-1996018628-A1 | ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 1996-06-20 | — | — | WO | disclosed |