Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.39 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 5/20 | 0.37 |
| ▸ | PPARA | Q07869 | 5/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10034426 | 0.96 | MCL1 (0.39) | PDK2ALDH1A1MCL1ACMSDMAPT | |
| SCHEMBL16366120 | 0.93 | CA12 (0.42) | PDK2ALDH1A1MCL1ACMSDMAPT | |
| SCHEMBL27012236 | 0.91 | PDK2 (0.39) | PDK2ALDH1A1CYP3A4HPGDHSD17B10 | |
| SCHEMBL29407519 | 0.91 | PDK2 (0.42) | PDK2ALDH1A1CYP3A4HPGDHSD17B10 | |
| SCHEMBL13367457 | 0.91 | PDK2 (0.42) | PDK2ALDH1A1CYP3A4HPGDHSD17B10 | |
| SCHEMBL23137765 | 0.90 | PDK2 (0.41) | PDK2ALDH1A1CYP3A4HPGDHSD17B10 | |
| SCHEMBL31058374 | 0.90 | PDK2 (0.41) | PDK2ALDH1A1CYP3A4HPGDHSD17B10 | |
| SCHEMBL25569223 | 0.89 | ALDH1A1 (0.38) | PDK2ALDH1A1MCL1ACMSDMAPT | |
| SCHEMBL17574427 | 0.89 | CA12 (0.44) | PDK2ALDH1A1MCL1ACMSDMAPT | |
| SCHEMBL25569016 | 0.89 | PDK2 (0.40) | PDK2ALDH1A1CYP3A4HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3305764-B1 | DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2019-09-25 | — | — | EP | disclosed |