Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10486165 | 1.00 | CYP2C9 (0.33) | CYP2C9OPRM1OPRK1OPRL1MAPT | |
| SCHEMBL10486159 | 1.00 | CYP2C9 (0.33) | CYP2C9OPRM1OPRK1OPRL1MAPT | |
| SCHEMBL11042258 | 0.88 | CYP1A2 (0.38) | CYP2C9OPRM1OPRK1OPRL1MAPT | |
| SCHEMBL11042254 | 0.88 | CYP1A2 (0.38) | CYP2C9OPRM1OPRK1OPRL1MAPT | |
| SCHEMBL5678478 | 0.88 | CYP1A2 (0.42) | OPRM1OPRK1OPRL1MAPK1ALDH1A1 | |
| SCHEMBL11022565 | 0.82 | MAPT (0.33) | CYP2C9MAPTLMNAALDH1A1HSD11B1 | |
| SCHEMBL7192072 | 0.78 | CYP1A2 (0.36) | CYP2C9OPRM1OPRK1OPRL1MAPT | |
| SCHEMBL13361159 | 0.78 | CYP1A2 (0.36) | CYP2C9OPRM1OPRK1OPRL1MAPT | |
| SCHEMBL5682352 | 0.77 | CYP1A2 (0.59) | OPRM1OPRK1OPRL1MAPTLMNA | |
| SCHEMBL5678676 | 0.76 | CYP1A2 (0.52) | MAPTLMNAMAPK1MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4868341-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-09-19 | — | — | US | disclosed |
| EP-0132553-B1 | BICYCLOHEXYLES | MERCK PATENT GmbH (DE) | 1988-02-10 | — | — | EP | disclosed |
| US-4622164-A | LIQUID CRYSTAL DIELECTRICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-11-11 | — | — | US | disclosed |
| EP-0132553-A1 | Bicyclohexyles | MERCK PATENT GmbH (DE) | 1985-02-13 | — | — | EP | disclosed |