Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9070169 | 0.83 | SHBG (0.50) | SHBGCYP3A4SMN1; SMN2MEN1USP2 | |
| SCHEMBL11870050 | 0.80 | CNR2 (0.43) | — | |
| SCHEMBL10947681 | 0.76 | CYP3A4 (0.54) | SHBGCYP3A4SMN1; SMN2MEN1USP2 | |
| SCHEMBL9247513 | 0.75 | AKR1C2 (0.51) | SHBGCYP3A4SMN1; SMN2MEN1USP2 | |
| SCHEMBL22080754 | 0.75 | SHBG (0.37) | SHBGCYP3A4ESR1HIF1AIDH1 | |
| SCHEMBL31217717 | 0.74 | CYP3A4 (0.46) | SHBGCYP3A4SMN1; SMN2MEN1USP2 | |
| SCHEMBL7914494 | 0.74 | CYP3A4 (0.46) | SHBGCYP3A4SMN1; SMN2MEN1USP2 | |
| SCHEMBL11876484 | 0.74 | NPC1 (0.40) | SMN1; SMN2KMT2A | |
| SCHEMBL270851 | 0.69 | MEN1 (0.42) | CYP3A4MEN1MAPTMAPK1KMT2A | |
| SCHEMBL9082692 | 0.68 | CYP3A4 (0.60) | SHBGCYP3A4SMN1; SMN2MEN1USP2 |
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-3954936-A | COPPER, COBALT, MANGANESE, NICKEL | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-05-04 | — | — | US | disclosed |