Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | AHCY | P23526 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL4673867 | 0.94 | ACHE (0.48) | ACHEBCHEAHCYMEN1KMT2A | |
| SCHEMBL4673344 | 0.93 | ACHE (0.51) | AKR1B1DRD4ACHEBCHELMNA | |
| SCHEMBL4673239 | 0.89 | DRD4 (0.47) | AKR1B1DRD4ACHEBCHELMNA | |
| SCHEMBL4673589 | 0.88 | DRD4 (0.46) | DRD4ACHEBCHEFAAH | |
| SCHEMBL4674202 | 0.88 | ACHE (0.56) | DRD4ACHEBCHEMEN1KMT2A | |
| SCHEMBL4673409 | 0.88 | ALDH1A1 (0.45) | AKR1B1ACHEBCHELMNAKDM4E | |
| SCHEMBL4672981 | 0.87 | CCR3 (0.56) | AKR1B1DRD4ACHEBCHELMNA | |
| SCHEMBL4674864 | 0.87 | DRD4 (0.45) | AKR1B1DRD4ACHEBCHELMNA | |
| Hydrochloric Acid SCHEMBL4680340 | 0.87 | CCR3 (0.55) | AKR1B1DRD4ACHEBCHELMNA | |
| SCHEMBL4673654 | 0.86 | ACHE (0.50) | DRD4ACHEBCHEFAAH |
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 |
|---|---|---|---|---|---|---|---|
| EP-1196404-A1 | PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Astrazeneca UK Limited (GB) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001002381-A1 | PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | ASTRAZENECA UK LIMITED (GB) | 2001-01-11 | — | — | WO | disclosed |