Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9060772 | 1.00 | RAB9A (0.46) | RAB9ALMNARARBCYP3A4CYP2D6 | |
| SCHEMBL9061775 | 0.99 | RARB (0.46) | RAB9ALMNARARBCYP3A4CYP2D6 | |
| SCHEMBL9060910 | 0.99 | RARB (0.46) | RAB9ALMNARARBCYP3A4CYP2D6 | |
| SCHEMBL9061766 | 0.99 | RARB (0.46) | RAB9ALMNARARBCYP3A4CYP2D6 | |
| SCHEMBL9060094 | 0.99 | RARB (0.46) | RAB9ALMNARARBCYP3A4CYP2D6 | |
| SCHEMBL9061087 | 0.99 | RARB (0.46) | RAB9ALMNARARBCYP3A4CYP2D6 | |
| SCHEMBL9061314 | 0.99 | RARB (0.46) | RAB9ALMNARARBCYP3A4CYP2D6 | |
| SCHEMBL9060102 | 0.99 | RARB (0.46) | RAB9ALMNARARBCYP3A4CYP2D6 | |
| SCHEMBL9061311 | 0.99 | RARB (0.46) | RAB9ALMNARARBCYP3A4CYP2D6 | |
| SCHEMBL9061082 | 0.99 | RARB (0.46) | RAB9ALMNARARBCYP3A4CYP2D6 |
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-5536442-A | ELECTROOPTICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-16 | — | — | US | disclosed |
| US-5389292-A | Liquid crystalline media having positive dielctric anisotropy, chemical, heat and radiation resistance, used as electro-optical displaying | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-14 | — | — | US | disclosed |
| EP-0381728-B1 | DIFLUOROMETHYL COMPOUNDS | MERCK PATENT GMBH (DE) | 1993-12-08 | — | — | EP | disclosed |
| EP-0381728-A1 | DIFLUOROMETHYL COMPOUNDS. | MERCK PATENT GMBH (DE) | 1990-08-16 | — | — | EP | disclosed |
| WO-1990001056-A1 | DIFLUOROMETHYL COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-02-08 | — | — | WO | disclosed |