Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11485866 | 0.90 | DRD2 (0.46) | DRD2DRD4DRD3GRIA4SIGMAR1 | |
| SCHEMBL11922992 | 0.90 | KCNH2 (0.49) | CALM1SIGMAR1KCNH2KDM4E | |
| SCHEMBL11489175 | 0.86 | SMN1; SMN2 (0.44) | DRD2DRD4DRD3HDAC3HDAC1 | |
| SCHEMBL11494252 | 0.86 | TSHR (0.43) | DRD2DRD4DRD3HDAC3HDAC1 | |
| SCHEMBL11489646 | 0.85 | GRIA4 (0.46) | GRIA4NPC1RAB9A | |
| SCHEMBL11487731 | 0.84 | ALDH1A1 (0.46) | GRIA4 | |
| SCHEMBL23527428 | 0.83 | CYP17A1 (0.50) | GRIA4NPC1RAB9ACYP17A1 | |
| Biphenyl SCHEMBL7742046 | 0.81 | SIGMAR1 (0.59) | DRD2DRD4DRD3SIGMAR1HDAC3 | |
| SCHEMBL8625674 | 0.81 | GRIN1 (0.51) | CALM1SIGMAR1KCNH2 | |
| SCHEMBL11487683 | 0.81 | GRIA4 (0.49) | GRIA4NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-4239759-A | Morpholino containing compounds, compositions and use thereof | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1980-12-16 | — | — | US | disclosed |
| US-4110447-A | Anti-inflammatory (halo-4-biphenylyl)-alkanolamines | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1978-08-29 | — | — | US | disclosed |