Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 4/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 5/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18012780 | 0.92 | THRA (0.38) | HCAR3THRATHRBESR1ALDH1A1 | |
| SCHEMBL18012627 | 0.90 | PKM (0.34) | HCAR3ALDH1A1SMN1; SMN2PKMHPGD | |
| SCHEMBL18012779 | 0.89 | SMN1; SMN2 (0.37) | HCAR3THRATHRBESR1ALDH1A1 | |
| SCHEMBL18012630 | 0.87 | HCAR3 (0.34) | HCAR3THRATHRBESR1ALDH1A1 | |
| SCHEMBL18012818 | 0.86 | PKM (0.37) | THRBNPSR1SMN1; SMN2PKMKMT2A | |
| SCHEMBL18012821 | 0.85 | PDK1 (0.35) | HCAR3ALDH1A1SMN1; SMN2PKMHPGD | |
| SCHEMBL18012626 | 0.85 | THRA (0.39) | HCAR3THRATHRBESR1ALDH1A1 | |
| SCHEMBL18012782 | 0.84 | MAPT (0.37) | HCAR3THRATHRBALDH1A1NPSR1 | |
| SCHEMBL18012824 | 0.80 | THRA (0.39) | HCAR3THRATHRBESR1ALDH1A1 | |
| SCHEMBL18012700 | 0.79 | HDAC3 (0.35) | ALDH1A1NPSR1GPR55SMN1; SMN2PKM |
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-2016126070-A1 | NOVEL OXIMESTER DERIVATIVE COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME | 한국화학연구원 | 2016-08-11 | — | — | WO | disclosed |