Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 6/20 | 0.40 |
| ▸ | DRD3 | P35462 | 6/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7201940 | 0.93 | GAA (0.49) | ALDH1A1KDM4EHPGDHSD17B10HTT | |
| SCHEMBL4397044 | 0.92 | DRD2 (0.45) | ALDH1A1KDM4EHPGDHSD17B10HTT | |
| SCHEMBL4382683 | 0.85 | DRD3 (0.42) | ALDH1A1KDM4EHPGDHTTGAA | |
| SCHEMBL4392626 | 0.82 | DRD3 (0.58) | ALDH1A1KDM4EHPGDHSD17B10HTT | |
| SCHEMBL4385475 | 0.82 | DRD3 (0.60) | ALDH1A1KDM4EHPGDHSD17B10HTT | |
| SCHEMBL4394660 | 0.82 | DRD3 (0.60) | ALDH1A1KDM4EHPGDHSD17B10HTT | |
| SCHEMBL4386866 | 0.79 | DRD3 (0.55) | ALDH1A1KDM4EHPGDHSD17B10DRD2 | |
| SCHEMBL4763714 | 0.78 | KDM4E (0.59) | ALDH1A1KDM4EHPGDHSD17B10HTT | |
| SCHEMBL4386303 | 0.78 | DRD3 (0.55) | ALDH1A1KDM4EHPGDHSD17B10DRD2 | |
| SCHEMBL5099718 | 0.77 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDHSD17B10HTT |
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-1144405-B1 | TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY | ABBOTT GMBH & CO KG (DE) | 2009-11-25 | — | — | EP | disclosed |
| US-6602867-B1 | Triazole compounds with dopamine-D3-receptor affinity | ABBOTT LABORATORIES | 2003-08-05 | — | — | US | disclosed |