Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.40 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RB1 | P06400 | 2/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24727249 | 0.75 | SIGMAR1 (0.49) | MCHR1SIGMAR1NR2E1KMT2ADRD2 | |
| SCHEMBL10748529 | 0.71 | KDM4E (0.48) | MCHR1DRD2 | |
| SCHEMBL10748537 | 0.71 | MCHR1 (0.38) | MCHR1SIGMAR1NR2E1KMT2ATP53 | |
| SCHEMBL8582769 | 0.69 | SIGMAR1 (0.47) | MCHR1SIGMAR1NR2E1KMT2ADRD2 | |
| SCHEMBL8822945 | 0.69 | RB1 (0.45) | SIGMAR1DRD2DRD1RB1 | |
| SCHEMBL19138976 | 0.69 | KDM4E (0.40) | SIGMAR1NR2E1DRD2DRD1HPGD | |
| SCHEMBL19161133 | 0.69 | KDM4E (0.40) | SIGMAR1NR2E1DRD2DRD1HPGD | |
| SCHEMBL17520540 | 0.69 | KDM4E (0.40) | SIGMAR1NR2E1DRD2DRD1HPGD | |
| SCHEMBL8791963 | 0.67 | RB1 (0.49) | SIGMAR1NR2E1DRD2DRD1RB1 | |
| Hydrochloric Acid SCHEMBL8793905 | 0.66 | RB1 (0.50) | SIGMAR1NR2E1DRD2DRD1RB1 |
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-2010134846-A1 | SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME | IVASHCHENKO ANDREY ALEXANDROVICH (RU) | 2010-11-25 | — | — | WO | disclosed |