Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20670400 | 1.00 | CA1 (0.47) | CA1CA12MMP8MAPTTDP1 | |
| SCHEMBL1003915 | 0.80 | CA12 (0.52) | CA1CA12MMP8MAPTTDP1 | |
| SCHEMBL1454276 | 0.79 | TDP1 (0.59) | CA1CA12MMP8MAPTTDP1 | |
| SCHEMBL3141077 | 0.79 | CA1 (0.50) | CA1CA12MMP8MAPTTDP1 | |
| SCHEMBL21799723 | 0.78 | MAPT (0.39) | MAPTTDP1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL5551150 | 0.78 | ALDH1A1 (0.50) | CA1CA12MMP8MAPTTDP1 | |
| SCHEMBL22502960 | 0.77 | TDP1 (0.64) | CA12TDP1ALDH1A1CYP3A4THRB | |
| SCHEMBL2255556 | 0.77 | TDP1 (0.64) | CA12TDP1ALDH1A1CYP3A4THRB | |
| SCHEMBL22399126 | 0.76 | CA12 (0.48) | CA1CA12MMP8MAPTTDP1 | |
| SCHEMBL9501161 | 0.76 | CA1 (0.52) | CA1CA12MMP8MAPTTDP1 |
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-20210175423-A1 | ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2021-06-10 | — | — | US | disclosed |