Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 13/20 | 1.00 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | METAP1 | P53582 | 3/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL13866434 | 1.00 | ACHE (1.00) | ACHETSHRMETAP1CYP19A1NOS3 | |
| SCHEMBL354925 | 1.00 | ACHE (1.00) | ACHETSHRMETAP1CYP19A1NOS3 | |
| SCHEMBL4938272 | 1.00 | ACHE (1.00) | ACHETSHRMETAP1CYP19A1NOS3 | |
| Hydrochloric Acid SCHEMBL7403735 | 0.98 | ACHE (0.96) | ACHETSHRMETAP1CYP19A1 | |
| Dimethylamine SCHEMBL8159682 | 0.92 | ACHE (0.85) | ACHETSHRMETAP1CYP19A1 | |
| SCHEMBL25001243 | 0.79 | ACHE (0.66) | ACHETSHRCYP19A1 | |
| SCHEMBL12676173 | 0.79 | ACHE (0.66) | ACHETSHRCYP19A1 | |
| SCHEMBL677613 | 0.79 | ACHE (0.66) | ACHETSHRCYP19A1 | |
| SCHEMBL10000875 | 0.79 | ACHE (0.66) | ACHETSHRCYP19A1 | |
| SCHEMBL3054005 | 0.79 | ACHE (0.66) | ACHETSHRMETAP1CYP19A1NOS3 |
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-2018026371-A1 | DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS | SUNOVION PHARMACEUTICALS INC. (US) | 2018-02-08 | — | — | WO | disclosed |
| WO-1991000863-A1 | HETEROARYL PIPERAZINE ANTIPSYCHOTIC AGENTS | PFIZER INC. (US) | 1991-01-24 | — | — | WO | disclosed |