Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 1/20 | 0.47 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9648256 | 1.00 | S1PR3 (0.47) | S1PR3SPHK1LMNARAB9ACRBN | |
| SCHEMBL9648249 | 1.00 | S1PR3 (0.47) | S1PR3SPHK1LMNARAB9ACRBN | |
| SCHEMBL9649309 | 1.00 | S1PR3 (0.47) | S1PR3SPHK1LMNARAB9ACRBN | |
| SCHEMBL9649101 | 0.99 | S1PR3 (0.45) | S1PR3SPHK1LMNARAB9ACRBN | |
| SCHEMBL9649107 | 0.99 | S1PR3 (0.45) | S1PR3SPHK1LMNARAB9ACRBN | |
| SCHEMBL9648553 | 0.94 | S1PR3 (0.43) | S1PR3SPHK1LMNARAB9ACRBN | |
| SCHEMBL9648560 | 0.94 | S1PR3 (0.43) | S1PR3SPHK1LMNARAB9ACRBN | |
| SCHEMBL9649530 | 0.89 | NQO1 (0.42) | S1PR3RAB9ACRBNNQO1MEN1 | |
| SCHEMBL9649546 | 0.89 | NQO1 (0.42) | S1PR3RAB9ACRBNNQO1MEN1 | |
| SCHEMBL9646881 | 0.88 | DRD2 (0.49) | S1PR3SPHK1MEN1KMT2ADRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0107759-B1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS COMPONENTS FOR LIQUID CRYSTALS | MERCK PATENT GmbH (DE) | 1992-12-16 | — | — | EP | disclosed |
| US-5108652-A | Liquid crystal dielectrics | Merck patent Gesellschaft mit beschrankter Haftung Darmstadt (DE) | 1992-04-28 | — | — | US | disclosed |
| US-4986931-A | Cyclohexane derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-01-22 | — | — | US | disclosed |
| US-4510069-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-04-09 | — | — | US | disclosed |
| EP-0107759-A2 | Cyclohexane derivatives and their use as components for liquid crystals | MERCK PATENT GmbH (DE) | 1984-05-09 | — | — | EP | disclosed |