Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | APAF1 | O14727 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL4039628 | 0.94 | CA12 (0.49) | CA12CA9APAF1ALDH1A1TP53 | |
| SCHEMBL7540180 | 0.89 | CA12 (0.45) | CA12CA9APAF1ALDH1A1TP53 | |
| SCHEMBL4037021 | 0.84 | DRD2 (0.55) | ALDH1A1DRD2DRD4DRD3ARG1 | |
| SCHEMBL4037015 | 0.84 | DRD2 (0.55) | ALDH1A1DRD2DRD4DRD3ARG1 | |
| SCHEMBL4039195 | 0.84 | DRD2 (0.55) | ALDH1A1DRD2DRD4DRD3ARG1 | |
| SCHEMBL17374536 | 0.74 | ALDH1A1 (0.42) | ALDH1A1CYP1A2MAPTALOX15TSHR | |
| SCHEMBL17374534 | 0.74 | ALDH1A1 (0.42) | ALDH1A1CYP1A2MAPTALOX15TSHR | |
| SCHEMBL4034860 | 0.74 | KMT2A (0.51) | APAF1ALDH1A1TP53CYP1A2BCHE | |
| SCHEMBL9412884 | 0.73 | DRD4 (0.44) | DRD2DRD4DRD3ARG1ARG2 | |
| SCHEMBL9412886 | 0.73 | DRD4 (0.44) | DRD2DRD4DRD3ARG1ARG2 |
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-1212299-A1 | SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | AstraZeneca UK Limited (GB) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001014333-A1 | SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | ASTRAZENECA UK LIMITED (GB) | 2001-03-01 | — | — | WO | disclosed |