Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PPIA | P62937 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | CIT | O14578 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8883641 | 0.91 | HTT (0.40) | HTTEPHX2MAPK1XDHKDM4E | |
| SCHEMBL8883790 | 0.88 | AAK1 (0.39) | HTTCIT | |
| SCHEMBL8881773 | 0.84 | HTT (0.40) | HTTEPHX2MAPK1XDHKDM4E | |
| SCHEMBL8883021 | 0.83 | CIT (0.31) | CIT | |
| SCHEMBL8882386 | 0.82 | LNPEP (0.36) | MCHR1 | |
| SCHEMBL8779208 | 0.82 | HTT (0.38) | HTTEPHX2MAPK1XDHKDM4E | |
| SCHEMBL8882922 | 0.80 | IKBKB (0.38) | HTTMAPK1KDM4ECIT | |
| SCHEMBL8883362 | 0.80 | IKBKB (0.38) | HTTMAPK1KDM4ECIT | |
| SCHEMBL8884848 | 0.79 | XIAP (0.42) | — | |
| SCHEMBL8882517 | 0.79 | LNPEP (0.36) | HTTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5620995-A | Substituted heterocyclic carboxyamides, their preparation and their use as pharmaceuticals | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-04-15 | — | — | US | disclosed |