Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.50 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8409924 | 0.88 | ACHE (0.49) | ACHEGMNNALDH1A1LMNATP53 | |
| SCHEMBL8409920 | 0.86 | DRD2 (0.48) | ACHEGMNNALDH1A1LMNATP53 | |
| SCHEMBL8406488 | 0.84 | DRD2 (0.49) | ACHEGMNNALDH1A1LMNATP53 | |
| SCHEMBL8406904 | 0.82 | ACHE (0.52) | ACHEGMNNALDH1A1LMNATP53 | |
| SCHEMBL8409218 | 0.81 | DRD2 (0.61) | ACHEGMNNALDH1A1LMNATP53 | |
| SCHEMBL8408438 | 0.81 | DRD2 (0.50) | ACHEGMNNALDH1A1LMNATP53 | |
| SCHEMBL9093851 | 0.80 | DRD2 (0.48) | ACHEGMNNALDH1A1LMNATP53 | |
| SCHEMBL8791235 | 0.80 | ACHE (0.49) | ACHEGMNNALDH1A1LMNATP53 | |
| SCHEMBL8406930 | 0.78 | MAPK1 (0.48) | ACHE | |
| SCHEMBL8792367 | 0.78 | GPR119 (0.37) | ALDH1A1 |
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 2 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 |
| WO-1996018628-A1 | ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 1996-06-20 | — | — | WO | disclosed |