Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | CCND2 | P30279 | 1/20 | 0.38 |
| ▸ | CCND3 | P30281 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 4/20 | 0.37 |
| ▸ | ACHE | P22303 | 4/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | USP1 | O94782 | 3/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7012711 | 0.84 | PSMB1 (0.49) | BCHEACHEHRH3MAPTTSHR | |
| SCHEMBL7019933 | 0.83 | HDAC1 (0.41) | CYP19A1TP53MAPTTSHRRXFP1 | |
| SCHEMBL7017888 | 0.83 | TP53 (0.47) | P2RX3TP53MAPTTSHRRXFP1 | |
| Hydrochloric Acid SCHEMBL7016880 | 0.83 | SMN1; SMN2 (0.46) | BCHEACHEMAPT | |
| SCHEMBL7010029 | 0.82 | TP53 (0.36) | CYP19A1P2RX3TP53MAPTTSHR | |
| SCHEMBL7015187 | 0.80 | RAB9A (0.37) | CYP19A1P2RX3MAPTTSHRPOLB | |
| SCHEMBL7015809 | 0.79 | HDAC6 (0.48) | TP53MAPTTSHR | |
| Hydrochloric Acid SCHEMBL7012709 | 0.78 | SRC (0.37) | P2RX3TP53MAPTTSHRRXFP1 | |
| Hydrochloric Acid SCHEMBL7016878 | 0.77 | SRC (0.39) | P2RX3HRH3TP53MAPTTSHR | |
| SCHEMBL7008875 | 0.74 | TP53 (0.42) | P2RX3TP53MAPTTSHRRXFP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0733633-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |