Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.76 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.76 |
| ▸ | EGFR | P00533 | 1/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.67 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.67 |
| ▸ | F3 | P13726 | 2/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.67 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | HTT | P42858 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.61 |
| ▸ | XBP1 | P17861 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.59 |
| ▸ | MGAM | O43451 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | SI | P14410 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL11817550 | 1.00 | AKR1C3 (0.76) | AKR1C3AKR1C1EGFRCYP1A2HSD11B1 | |
| SCHEMBL11841748 | 0.96 | AKR1C3 (0.70) | AKR1C3AKR1C1EGFRCYP1A2HSD11B1 | |
| SCHEMBL11841756 | 0.96 | AKR1C3 (0.70) | AKR1C3AKR1C1EGFRCYP1A2HSD11B1 | |
| SCHEMBL23922931 | 0.92 | MAOB (0.67) | AKR1C3AKR1C1EGFRCYP1A2HSD11B1 | |
| SCHEMBL21612285 | 0.91 | AKR1C3 (0.65) | AKR1C3AKR1C1EGFRCYP1A2HSD11B1 | |
| SCHEMBL21612281 | 0.91 | AKR1C3 (0.65) | AKR1C3AKR1C1EGFRCYP1A2HSD11B1 | |
| SCHEMBL21612283 | 0.91 | AKR1C3 (0.65) | AKR1C3AKR1C1EGFRCYP1A2HSD11B1 | |
| SCHEMBL21612350 | 0.86 | AKR1C3 (1.00) | AKR1C3AKR1C1EGFRCYP1A2HSD11B1 | |
| SCHEMBL625345 | 0.86 | AKR1C3 (1.00) | AKR1C3AKR1C1EGFRCYP1A2HSD11B1 | |
| SCHEMBL1524671 | 0.86 | AKR1C3 (1.00) | AKR1C3AKR1C1EGFRCYP1A2HSD11B1 |
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 2 patents. 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 |
| US-3957762-A | CENTRAL NERVOUS SYSTEM DEPRESSANTS | E. R. SQUIBB & SONS, INC. (US) | 1976-05-18 | — | — | US | disclosed |