Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | SLC16A3 | O15427 | 2/20 | 0.31 |
| ▸ | SLC16A1 | P53985 | 2/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16319196 | 0.80 | BACE1 (0.34) | SMYD2CYP3A4HTTSMN1; SMN2GRM5 | |
| SCHEMBL3599859 | 0.79 | LOX (0.41) | SMYD2SLC16A3SLC16A1GRM5 | |
| SCHEMBL29623921 | 0.77 | GABRA1 (0.38) | SMYD2CYP3A4HTTSMN1; SMN2GRM5 | |
| SCHEMBL31658737 | 0.75 | HDAC1 (0.31) | — | |
| SCHEMBL23525741 | 0.75 | NLRP3 (0.36) | SMN1; SMN2SLC16A3SLC16A1 | |
| SCHEMBL30791336 | 0.75 | NLRP3 (0.36) | SMN1; SMN2SLC16A3SLC16A1 | |
| SCHEMBL20972538 | 0.74 | KCNH2 (0.33) | SMYD2CYP3A4HTTSMN1; SMN2SLC16A3 | |
| SCHEMBL5486504 | 0.74 | NLRP3 (0.41) | — | |
| SCHEMBL30298249 | 0.74 | LOX (0.40) | SMYD2CYP3A4HTTSMN1; SMN2GRM5 | |
| SCHEMBL16318760 | 0.74 | LOXL2 (0.34) | SMYD2CYP3A4HTTSMN1; SMN2SLC16A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9382188-B2 | Aromatic ring compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-07-05 | — | — | US | disclosed |
| EP-2816023-A1 | AROMATIC RING COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2014-12-24 | — | — | EP | disclosed |