Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL10798784 | 0.82 | GABRA1 (0.42) | GABRA1GABRB2CYP3A4TSHR | |
| SCHEMBL467385 | 0.78 | GABRA1 (0.57) | GABRA1GABRB2CYP3A4TSHRALDH1A1 | |
| SCHEMBL11509303 | 0.77 | GABRA1 (0.60) | GABRA1GABRB2CYP3A4TSHRTDP1 | |
| SCHEMBL1925963 | 0.77 | GABRA1 (0.60) | GABRA1GABRB2CYP3A4TSHRALDH1A1 | |
| SCHEMBL7102166 | 0.77 | GABRA1 (0.55) | GABRA1GABRB2CYP3A4TSHR | |
| SCHEMBL23721618 | 0.76 | GABRA1 (0.58) | GABRA1GABRB2CYP3A4TSHR | |
| SCHEMBL1396461 | 0.76 | GABRA1 (0.58) | GABRA1GABRB2CYP3A4TSHR | |
| SCHEMBL17504402 | 0.76 | GABRA1 (0.58) | GABRA1GABRB2CYP3A4TSHR | |
| SCHEMBL29931189 | 0.76 | GABRA1 (0.58) | GABRA1GABRB2CYP3A4TSHR | |
| SCHEMBL29580671 | 0.76 | GABRA1 (0.58) | GABRA1GABRB2CYP3A4TSHR |
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-1991001983-A1 | CYCLOBUTARENE KETOANHYDRIDE AND KETOCARBOXY MONOMERIC AND POLYMERIC COMPOSITIONS | THE DOW CHEMICAL COMPANY (US) | 1991-02-21 | — | — | WO | disclosed |