Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7005733 | 0.76 | TSHR (0.57) | TSHRHSD17B10HPGDRAB9AALDH1A1 | |
| SCHEMBL10885557 | 0.76 | MCL1 (0.82) | MCL1MAPK1HPGDRAB9AALDH1A1 | |
| SCHEMBL9777027 | 0.75 | RAB9A (0.58) | TSHRHSD17B10HPGDRAB9AALDH1A1 | |
| SCHEMBL600072 | 0.75 | MCL1 (1.00) | MCL1MAPK1HSD17B10ALDH1A1CYP1A2 | |
| SCHEMBL5046057 | 0.75 | RAB9A (0.58) | TSHRHSD17B10HPGDRAB9AALDH1A1 | |
| SCHEMBL11844223 | 0.75 | ALDH1A1 (0.50) | TSHRHSD17B10HPGDRAB9AALDH1A1 | |
| SCHEMBL7922437 | 0.72 | MCL1 (0.70) | MCL1TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL621714 | 0.72 | ALDH1A1 (0.58) | TSHRHSD17B10HPGDRAB9AALDH1A1 | |
| SCHEMBL6201220 | 0.71 | GAA (0.54) | TSHRHSD17B10HPGDRAB9AALDH1A1 | |
| SCHEMBL3858877 | 0.71 | GAA (0.54) | TSHRHSD17B10HPGDRAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117945872-A | Method for synthesizing disubstituted dienone compound by catalysis of binuclear titanium complex | 陕西师范大学 | 2024-04-30 | — | — | CN | disclosed |