Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 10/20 | 0.38 |
| ▸ | DRD3 | P35462 | 10/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4382322 | 0.93 | ALDH1A1 (0.43) | GAANPSR1LMNAHTTALDH1A1 | |
| SCHEMBL4397044 | 0.90 | DRD2 (0.45) | GAANPSR1LMNAHTTCYP1A2 | |
| SCHEMBL4382683 | 0.84 | DRD3 (0.42) | GAANPSR1LMNAHTTCYP1A2 | |
| SCHEMBL4392626 | 0.81 | DRD3 (0.58) | HTTALDH1A1KDM4EHPGDDRD2 | |
| SCHEMBL4385475 | 0.81 | DRD3 (0.60) | HTTALDH1A1KDM4EHPGDDRD2 | |
| SCHEMBL4394660 | 0.81 | DRD3 (0.60) | HTTALDH1A1KDM4EHPGDDRD2 | |
| SCHEMBL4386866 | 0.79 | DRD3 (0.55) | CYP3A4ALDH1A1KDM4EHPGDDRD2 | |
| SCHEMBL4386303 | 0.77 | DRD3 (0.55) | ALDH1A1KDM4EHPGDDRD2DRD3 | |
| SCHEMBL4395670 | 0.76 | DRD3 (0.56) | HTTALDH1A1KDM4EHPGDDRD2 | |
| SCHEMBL4395503 | 0.75 | DRD3 (0.50) | ALDH1A1KDM4EHPGDDRD2DRD3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6602867-B1 | Triazole compounds with dopamine-D3-receptor affinity | ABBOTT LABORATORIES | 2003-08-05 | — | — | US | disclosed |