Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | DRD1 | P21728 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 7/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | GCGR | P47871 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6171306 | 0.85 | ESR1 (0.69) | ESR1ESR2F2GCGR | |
| SCHEMBL2896452 | 0.74 | ESR1 (0.72) | DRD2DRD1DRD3ESR1ESR2 | |
| SCHEMBL7423819 | 0.73 | ESR1 (0.48) | ESR1ESR2MEN1KMT2AF2 | |
| SCHEMBL11804646 | 0.72 | DRD2 (0.74) | DRD2DRD1DRD3MEN1GAA | |
| SCHEMBL6171041 | 0.72 | ESR1 (0.61) | ESR1ESR2 | |
| SCHEMBL4818774 | 0.72 | ESR1 (0.75) | DRD2DRD1DRD3ESR1ESR2 | |
| SCHEMBL1286685 | 0.72 | MAPT (0.81) | DRD2DRD1DRD3MEN1GAA | |
| SCHEMBL11712503 | 0.71 | DRD2 (0.72) | DRD2DRD1DRD3MEN1GAA | |
| SCHEMBL11730898 | 0.71 | DRD2 (0.72) | DRD2DRD1DRD3MEN1GAA | |
| SCHEMBL11712364 | 0.71 | DRD2 (0.72) | DRD2DRD1DRD3MEN1GAA |
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-6025382-A | Antithrombotic diamines | ELI LILLY AND COMPANY (US) | 2000-02-15 | — | — | US | disclosed |