Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.51 |
| ▸ | GMNN | O75496 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | DRD4 | P21917 | 2/20 | 0.51 |
| ▸ | DRD3 | P35462 | 2/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.49 |
| ▸ | SCN1A | P35498 | 8/20 | 0.48 |
| ▸ | SCN8A | Q9UQD0 | 8/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CCR3 | P51677 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8406857 | 0.86 | OPRM1 (0.43) | DRD2GMNNALDH1A1LMNAHPGD | |
| SCHEMBL8409257 | 0.81 | SCN1A (0.47) | DRD2GMNNALDH1A1LMNAHPGD | |
| SCHEMBL8406779 | 0.81 | SCN1A (0.49) | DRD2GMNNALDH1A1LMNAHPGD | |
| SCHEMBL8408498 | 0.81 | DRD2 (0.67) | DRD2GMNNALDH1A1LMNAHPGD | |
| SCHEMBL8408627 | 0.78 | SCN1A (0.44) | DRD2GMNNALDH1A1LMNAHPGD | |
| SCHEMBL8409511 | 0.74 | ACHE (0.45) | DRD2GMNNALDH1A1LMNAHPGD | |
| SCHEMBL21375648 | 0.74 | SIGMAR1 (0.60) | DRD2GMNNALDH1A1LMNAHPGD | |
| SCHEMBL19311894 | 0.72 | ACHE (0.62) | DRD2DRD4DRD3ACHECCR3 | |
| SCHEMBL6597276 | 0.72 | SLC2A1 (0.62) | DRD2GMNNALDH1A1LMNAHPGD | |
| SCHEMBL2108897 | 0.72 | ACHE (0.66) | DRD2DRD4DRD3ACHECCR3 |
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 |