Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.59 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.59 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.58 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5291640 | 0.90 | GABRA1 (0.64) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL2031515 | 0.88 | GABRA1 (0.59) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL3895723 | 0.88 | GABRA1 (0.62) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL5514815 | 0.86 | GABRA1 (0.63) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL7292036 | 0.85 | GABRA1 (0.59) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL7291362 | 0.85 | GABRA1 (0.59) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL2910577 | 0.85 | GABRA1 (0.65) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL1430455 | 0.85 | GABRA1 (0.65) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL2904981 | 0.83 | GABRA1 (0.65) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL11141839 | 0.83 | GABRA1 (0.70) | GABRA1GABRB2GABRB1GABRA3CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016199943-A1 | HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-12-15 | — | — | WO | disclosed |