Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.58 |
| ▸ | HPGD | P15428 | 4/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | DRD3 | P35462 | 13/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 12/20 | 0.53 |
| ▸ | DRD2 | P14416 | 11/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5099718 | 1.00 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDHSD17B10DRD3 | |
| SCHEMBL4763714 | 0.99 | KDM4E (0.59) | ALDH1A1KDM4EHPGDHSD17B10DRD3 | |
| SCHEMBL4774162 | 0.92 | DRD3 (0.54) | ALDH1A1KDM4EHPGDHSD17B10DRD3 | |
| SCHEMBL4770291 | 0.89 | DRD3 (0.57) | DRD3KCNH2DRD2 | |
| SCHEMBL5111801 | 0.88 | DRD3 (0.56) | DRD3KCNH2DRD2 | |
| SCHEMBL5112313 | 0.87 | DRD3 (0.60) | DRD3KCNH2DRD2 | |
| SCHEMBL4385475 | 0.87 | DRD3 (0.60) | ALDH1A1KDM4EHPGDHSD17B10DRD3 | |
| SCHEMBL4394660 | 0.87 | DRD3 (0.60) | ALDH1A1KDM4EHPGDHSD17B10DRD3 | |
| SCHEMBL4764981 | 0.86 | DRD3 (0.55) | DRD3KCNH2DRD2 | |
| SCHEMBL4392626 | 0.86 | DRD3 (0.58) | ALDH1A1KDM4EHPGDHSD17B10DRD3 |
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-7429579-B2 | Tetrahydrobenzazepine derivatives useful as modulators of dopamine D3 receptors (antipsychotic agents) | SMITHKLINE BEECHAM, PLC (GB) | 2008-09-30 | — | — | US | disclosed |