Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 2/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 7/20 | 0.39 |
| ▸ | NTRK2 | Q16620 | 6/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7012231 | 0.90 | TRPA1 (0.48) | CASRPIK3CDHDAC6NTRK1NTRK2 | |
| SCHEMBL7015330 | 0.88 | NTRK1 (0.46) | CASRPIK3CDHDAC6NTRK1NTRK2 | |
| Hydrochloric Acid SCHEMBL7014173 | 0.82 | HRH3 (0.40) | CASRGAASMN1; SMN2 | |
| SCHEMBL7015787 | 0.81 | MEN1 (0.51) | CASRHDAC6NPC1SMN1; SMN2HDAC8 | |
| Hydrochloric Acid SCHEMBL7017276 | 0.79 | LSS (0.35) | CASRPIK3CDHDAC6NTRK1NTRK2 | |
| Hydrochloric Acid SCHEMBL7018696 | 0.79 | KMT2A (0.43) | CASRPIK3CDHDAC6NPC1GAA | |
| SCHEMBL7011506 | 0.76 | MEN1 (0.55) | HDAC6SMN1; SMN2HDAC8 | |
| SCHEMBL7019291 | 0.75 | CASR (0.43) | CASRRAB9ASMN1; SMN2 | |
| SCHEMBL7019084 | 0.74 | MAOA (0.46) | CASRSMN1; SMN2TRPA1 | |
| SCHEMBL7013546 | 0.74 | MAOA (0.47) | PIK3CDHDAC6NPC1RAB9ASMN1; SMN2 |
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 |