Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 8/20 | 0.60 |
| ▸ | DRD3 | P35462 | 8/20 | 0.60 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.45 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.45 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.45 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22456247 | 1.00 | DRD2 (0.60) | DRD2DRD3CHRNB2CHRNA7CHRNA4 | |
| Hydrochloric Acid SCHEMBL455722 | 0.98 | DRD2 (0.59) | DRD2DRD3CHRNB2CHRNA7CHRNA4 | |
| Hydrochloric Acid SCHEMBL455721 | 0.98 | DRD2 (0.59) | DRD2DRD3CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL28538170 | 0.85 | CHRNB2 (0.49) | DRD2DRD3CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL29456493 | 0.80 | PRKACA (0.54) | DRD2DRD3CYP2D6ABCC9ABCC8 | |
| SCHEMBL21491176 | 0.80 | PRKACA (0.54) | DRD2DRD3CYP2D6ABCC9ABCC8 | |
| SCHEMBL31472323 | 0.80 | PRKACA (0.54) | DRD2DRD3CYP2D6ABCC9ABCC8 | |
| SCHEMBL28526307 | 0.79 | CHRNB2 (0.56) | DRD2DRD3CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL28524486 | 0.79 | CHRNB2 (0.56) | DRD2DRD3CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL28524487 | 0.79 | CHRNB2 (0.56) | DRD2DRD3CHRNB2CHRNA7CHRNA4 |
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-2012034095-A1 | COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS | IRM LLC (BM) | 2012-03-15 | — | — | WO | disclosed |