Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 5/20 | 0.46 |
| ▸ | DRD2 | P14416 | 4/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | ACHE | P22303 | 4/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20909682 | 0.93 | DRD2 (0.46) | DRD3DRD2DRD4CA1CA2 | |
| SCHEMBL22547547 | 0.85 | ACHE (0.39) | DRD3DRD2DRD4CA1CA2 | |
| SCHEMBL11974565 | 0.85 | ACHE (0.39) | DRD3DRD2DRD4CA1CA2 | |
| Hydrochloric Acid SCHEMBL1026200 | 0.83 | ACHE (0.38) | DRD3DRD2DRD4CA1CA2 | |
| SCHEMBL9776786 | 0.81 | GRIN2B (0.50) | DRD3DRD2DRD4CA1CA2 | |
| SCHEMBL12586121 | 0.79 | MTNR1A (0.68) | DRD3DRD2DRD4CA1CA2 | |
| SCHEMBL20890002 | 0.78 | DRD3 (0.47) | DRD3DRD2DRD4CA1CA2 | |
| SCHEMBL8056606 | 0.78 | DRD2 (0.68) | DRD3DRD2DRD4CA1CA2 | |
| SCHEMBL8056603 | 0.78 | DRD2 (0.68) | DRD3DRD2DRD4CA1CA2 | |
| SCHEMBL8056611 | 0.78 | DRD2 (0.68) | DRD3DRD2DRD4CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021003314-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | NUVATION BIO INC. (US) | 2021-01-07 | — | — | WO | disclosed |
| WO-2019074979-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | GIRAFPHARMA, LLC (US) | 2019-04-18 | — | — | WO | disclosed |