Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.58 |
| ▸ | DRD4 | P21917 | 4/20 | 0.58 |
| ▸ | DRD3 | P35462 | 4/20 | 0.58 |
| ▸ | BCHE | P06276 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | JAK2 | O60674 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | HTR6 | P50406 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9092160 | 1.00 | DRD2 (0.58) | DRD2DRD4DRD3BCHECYP2D6 | |
| SCHEMBL1388391 | 0.84 | DRD4 (0.81) | DRD2DRD4DRD3CYP2D6LMNA | |
| SCHEMBL1388390 | 0.84 | DRD4 (0.81) | DRD2DRD4DRD3CYP2D6LMNA | |
| SCHEMBL8303352 | 0.78 | DRD2 (0.49) | DRD2DRD4DRD3HTTKDM4E | |
| SCHEMBL8303355 | 0.78 | DRD2 (0.49) | DRD2DRD4DRD3HTTKDM4E | |
| SCHEMBL8429503 | 0.77 | KDM4E (0.64) | DRD2DRD4DRD3HTTKDM4E | |
| SCHEMBL8429501 | 0.77 | KDM4E (0.64) | DRD2DRD4DRD3HTTKDM4E | |
| SCHEMBL8858342 | 0.77 | DRD2 (0.48) | DRD2DRD4DRD3KDM4ERAB9A | |
| SCHEMBL8858344 | 0.77 | DRD2 (0.48) | DRD2DRD4DRD3KDM4ERAB9A | |
| Hydrochloric Acid SCHEMBL8428831 | 0.76 | KDM4E (0.66) | DRD2DRD4DRD3HTTKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994021627-A1 | INDOLE DERIVATIVES AS DOPAMINE D4 ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1994-09-29 | — | — | WO | claimed |
| US-5576336-A | Indole derivatives as dopamine D4 antagonists | MERCK SHARP & DOHME LIMITED (GB) | 1996-11-19 | — | — | US | disclosed |
| WO-1994021627-A1 | INDOLE DERIVATIVES AS DOPAMINE D4 ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1994-09-29 | — | — | WO | disclosed |