Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.58 |
| ▸ | DRD3 | P35462 | 1/20 | 0.58 |
| ▸ | IRAK4 | Q9NWZ3 | 6/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | USP2 | O75604 | 4/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | BTK | Q06187 | 2/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | ACP1 | P24666 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8487652 | 1.00 | DRD2 (0.58) | DRD2DRD3IRAK4CYP1A2CYP3A4 | |
| SCHEMBL17652208 | 0.81 | IRAK4 (0.68) | DRD2DRD3IRAK4CYP1A2CYP3A4 | |
| SCHEMBL27504590 | 0.81 | PDE5A (0.58) | KDM4EMAP4K4ACP1 | |
| SCHEMBL28926173 | 0.77 | CYP1A2 (0.50) | IRAK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL30105914 | 0.77 | CYP1A2 (0.50) | IRAK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL31151143 | 0.76 | DRD2 (0.57) | DRD2DRD3IRAK4CYP1A2CYP3A4 | |
| SCHEMBL8767908 | 0.76 | CYP1A2 (0.50) | DRD2DRD3IRAK4CYP1A2CYP3A4 | |
| SCHEMBL17209397 | 0.76 | IRAK4 (0.56) | IRAK4 | |
| SCHEMBL9040263 | 0.75 | GBA1 (0.58) | — | |
| SCHEMBL17209402 | 0.75 | IRAK4 (0.65) | IRAK4 |
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-5889012-A | INSECTICIDE, ACARICIDES, FUNGICIDES | HOECHST-SCHERING AGREVO GMBH (DE) | 1999-03-30 | — | — | US | disclosed |