Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 7/20 | 0.52 |
| ▸ | DRD4 | P21917 | 7/20 | 0.52 |
| ▸ | DRD3 | P35462 | 7/20 | 0.52 |
| ▸ | DRD1 | P21728 | 5/20 | 0.52 |
| ▸ | HTR2A | P28223 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | ITK | Q08881 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL19128437 | 0.82 | POLB (0.47) | MEN1KMT2APDK2POLBCCNC | |
| SCHEMBL20647083 | 0.82 | SMN1; SMN2 (0.44) | MEN1KMT2APDK2POLBSMN1; SMN2 | |
| SCHEMBL20647087 | 0.80 | SMN1; SMN2 (0.44) | MEN1KMT2APDK2POLBSMN1; SMN2 | |
| SCHEMBL23889022 | 0.80 | SMN1; SMN2 (0.42) | DRD2DRD4DRD3DRD1HTR2A | |
| SCHEMBL21947065 | 0.79 | SMN1; SMN2 (0.41) | MEN1KMT2APDK2POLBSMN1; SMN2 | |
| SCHEMBL23889000 | 0.75 | DRD2 (0.51) | DRD2DRD4DRD3DRD1HTR2A | |
| SCHEMBL4124945 | 0.75 | MEN1 (0.53) | MEN1KMT2APDK2POLBCCNC | |
| SCHEMBL23888996 | 0.74 | DRD2 (0.50) | DRD2DRD4DRD3DRD1HTR2A | |
| SCHEMBL31546973 | 0.72 | DRD2 (0.50) | DRD2DRD4DRD3DRD1HTR2A | |
| SCHEMBL23888958 | 0.72 | DRD2 (0.48) | DRD2DRD4DRD3DRD1HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3402790-B1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-10-06 | — | — | EP | disclosed |