Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL10449771 | 1.00 | TLR4 (0.45) | TLR4CYP1A2NAAACCR2TP53 | |
| SCHEMBL10449774 | 1.00 | TLR4 (0.45) | TLR4CYP1A2NAAACCR2TP53 | |
| SCHEMBL10450737 | 0.96 | TLR4 (0.44) | TLR4CYP1A2CCR2MAPTMEN1 | |
| SCHEMBL10450733 | 0.96 | TLR4 (0.44) | TLR4CYP1A2CCR2MAPTMEN1 | |
| SCHEMBL10450736 | 0.96 | TLR4 (0.44) | TLR4CYP1A2CCR2MAPTMEN1 | |
| SCHEMBL10450313 | 0.96 | CYP1A2 (0.42) | TLR4CYP1A2NAAACCR2TP53 | |
| SCHEMBL10450311 | 0.96 | CYP1A2 (0.42) | TLR4CYP1A2NAAACCR2TP53 | |
| SCHEMBL10450225 | 0.95 | TLR4 (0.43) | TLR4CYP1A2NAAACCR2MAPT | |
| SCHEMBL10450220 | 0.95 | TLR4 (0.43) | TLR4CYP1A2NAAACCR2MAPT | |
| SCHEMBL10450382 | 0.95 | TLR4 (0.43) | TLR4CYP1A2NAAACCR2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4943384-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-07-24 | — | — | US | disclosed |
| EP-0216880-B1 | CYCLOHEXANE DERIVATIVES | MERCK PATENT GmbH (DE) | 1988-11-02 | — | — | EP | disclosed |