Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | DRD4 | P21917 | 3/20 | 0.46 |
| ▸ | DRD3 | P35462 | 3/20 | 0.46 |
| ▸ | GMNN | O75496 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8791841 | 0.90 | DRD2 (0.44) | DRD2DRD4DRD3GMNNALDH1A1 | |
| SCHEMBL8409626 | 0.83 | DRD2 (0.61) | DRD2DRD4DRD3GMNNALDH1A1 | |
| SCHEMBL9370527 | 0.80 | NMT1 (0.46) | DRD2DRD4DRD3GMNNALDH1A1 | |
| SCHEMBL7397879 | 0.77 | DRD2 (0.77) | DRD2DRD4DRD3GMNNALDH1A1 | |
| SCHEMBL4033430 | 0.75 | DRD2 (0.49) | DRD2DRD4DRD3GMNNALDH1A1 | |
| SCHEMBL8792157 | 0.74 | NMT1 (0.35) | DRD2DRD4DRD3GMNNALDH1A1 | |
| SCHEMBL28015202 | 0.74 | GRM5 (0.46) | ALDH1A1LMNAHPGDSMN1; SMN2SLC6A2 | |
| SCHEMBL8169539 | 0.74 | JAK2 (0.50) | SLC6A2SLC6A4SLC6A3NMT1 | |
| SCHEMBL8409475 | 0.74 | NMT1 (0.35) | DRD2DRD4DRD3GMNNALDH1A1 | |
| SCHEMBL27880543 | 0.73 | SLC6A2 (0.42) | 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 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 |