Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.91 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.91 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.91 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.91 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.91 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | HTT | P42858 | 3/20 | 0.62 |
| ▸ | NPC1 | O15118 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.60 |
| ▸ | RELA | Q04206 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | ATP4A | P20648 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL15740967 | 1.00 | CYP2D6 (0.91) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL9650521 | 1.00 | CYP2D6 (0.91) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL13527207 | 0.98 | CYP2D6 (0.94) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL14129887 | 0.95 | CYP2D6 (1.00) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL17202892 | 0.92 | CYP2D6 (0.77) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL17202894 | 0.92 | CYP2D6 (0.77) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL15740654 | 0.85 | CYP19A1 (0.67) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL14527314 | 0.85 | CYP2C9 (0.70) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL19055583 | 0.82 | CHRNB2 (0.62) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL4888697 | 0.82 | CHRNB2 (0.62) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5279762-A | High speed switching | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-01-18 | — | — | US | disclosed |
| EP-0220296-B1 | SMECTIC LIQUID CRYSTALLINE PHASES | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-07-28 | — | — | EP | disclosed |
| US-5064566-A | Chirally tilted, pyrimidines, pyridines, or pyrazines, stability | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-12 | — | — | US | disclosed |
| EP-0220296-A1 | SMECTIC LIQUID CRYSTALLINE PHASES. | MERCK PATENT GMBH (DE) | 1987-05-06 | — | — | EP | disclosed |
| WO-1986006401-A1 | SMECTIC LIQUID CRYSTALLINE PHASES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1986-11-06 | — | — | WO | disclosed |