Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 10/20 | 0.39 |
| ▸ | DRD3 | P35462 | 9/20 | 0.39 |
| ▸ | DRD4 | P21917 | 6/20 | 0.39 |
| ▸ | DRD1 | P21728 | 3/20 | 0.39 |
| ▸ | DRD5 | P21918 | 3/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL904332 | 0.85 | SLC6A2 (0.46) | DRD2DRD3DRD1DRD5 | |
| SCHEMBL904313 | 0.76 | DRD1 (0.39) | DRD1TP53 | |
| SCHEMBL10111840 | 0.76 | HTR2C (0.40) | DRD2DRD3DRD4DRD1DRD5 | |
| SCHEMBL904319 | 0.72 | NR1H2 (0.43) | — | |
| SCHEMBL12602178 | 0.69 | CHRM1 (0.42) | DRD2DRD3DRD4CHRM1 | |
| SCHEMBL903641 | 0.66 | CNR2 (0.38) | DRD2DRD3DRD4DRD1DRD5 | |
| SCHEMBL8172360 | 0.63 | ALDH1A1 (0.44) | — | |
| SCHEMBL2810467 | 0.63 | HTR1D (0.47) | DRD2DRD3DRD4CHRM1HTR1D | |
| SCHEMBL29511664 | 0.63 | HTR1D (0.47) | DRD2DRD3DRD4CHRM1HTR1D | |
| SCHEMBL31669018 | 0.63 | CHRM1 (0.43) | DRD2DRD3DRD4CHRM1HTR1D |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012041227-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |