Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.31 |
| ▸ | KMO | O15229 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16319292 | 0.80 | SMYD2 (0.32) | SMYD2CYP3A4HTTSMN1; SMN2GRM5 | |
| SCHEMBL1734113 | 0.73 | SMYD2 (0.35) | SMYD2CYP3A4HTTSMN1; SMN2CYP19A1 | |
| SCHEMBL29623921 | 0.73 | GABRA1 (0.38) | SMYD2CYP3A4HTTSMN1; SMN2GRM5 | |
| SCHEMBL16318760 | 0.73 | LOXL2 (0.34) | SMYD2CYP3A4HTTSMN1; SMN2GRM5 | |
| SCHEMBL4147048 | 0.70 | SMYD2 (0.32) | SMYD2GABRA5 | |
| SCHEMBL1314001 | 0.70 | AGXT (0.42) | SMYD2MAOBCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL8794941 | 0.69 | MMP3 (0.38) | CYP3A4 | |
| SCHEMBL3248397 | 0.69 | UHRF1 (0.37) | CYP3A4HTTSMN1; SMN2GRM5GRM1 | |
| SCHEMBL17288279 | 0.69 | FFAR1 (0.34) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL3544323 | 0.69 | PTGER4 (0.33) | SMYD2 |
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 |