Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | VNN1 | O95497 | 1/20 | 0.34 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 6/20 | 0.33 |
| ▸ | JAK1 | P23458 | 5/20 | 0.33 |
| ▸ | JAK2 | O60674 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8409475 | 0.88 | NMT1 (0.35) | IRAK4SLC6A2SLC6A4SLC6A3LRRK2 | |
| SCHEMBL8409816 | 0.84 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3HTR1APTK2 | |
| SCHEMBL8406730 | 0.82 | DRD2 (0.38) | IRAK4SLC6A2SLC6A4SLC6A3LRRK2 | |
| SCHEMBL8408621 | 0.80 | KHK (0.41) | FLT3 | |
| SCHEMBL8408367 | 0.78 | NMT1 (0.34) | IRAK4SLC6A2SLC6A4SLC6A3JAK3 | |
| SCHEMBL8409811 | 0.77 | KHK (0.36) | PTK2TP53CYP2D6FLT3 | |
| SCHEMBL8409218 | 0.77 | DRD2 (0.61) | DRD2DRD4DRD3GMNNALDH1A1 | |
| SCHEMBL9093420 | 0.75 | VNN1 (0.45) | VNN1JAK1JAK2DRD2DRD4 | |
| SCHEMBL8169539 | 0.73 | JAK2 (0.50) | IRAK4SLC6A2SLC6A4SLC6A3JAK3 | |
| SCHEMBL9370527 | 0.73 | NMT1 (0.46) | IRAK4SLC6A2SLC6A4SLC6A3LRRK2 |
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 |