Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.47 |
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.43 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10787031 | 0.96 | ABL1 (0.44) | ABL1RIN1SPHK1SPHK2CYP2C9 | |
| SCHEMBL10787929 | 0.96 | SPHK1 (0.45) | ABL1RIN1SPHK1SPHK2CYP2C9 | |
| SCHEMBL10787470 | 0.88 | SPHK1 (0.48) | ABL1RIN1SPHK1SPHK2 | |
| SCHEMBL10788200 | 0.87 | SPHK1 (0.50) | ABL1RIN1SPHK1SPHK2 | |
| SCHEMBL10792138 | 0.87 | SPHK1 (0.54) | ABL1RIN1SPHK1SPHK2ALDH1A1 | |
| SCHEMBL10787828 | 0.87 | NPC1 (0.41) | SPHK1SPHK2CYP2C9ALDH1A1LMNA | |
| SCHEMBL10790541 | 0.86 | SPHK1 (0.50) | ABL1RIN1SPHK1SPHK2 | |
| SCHEMBL10786408 | 0.86 | SPHK1 (0.59) | ABL1RIN1SPHK1SPHK2ALDH1A1 | |
| SCHEMBL10791052 | 0.85 | SPHK1 (0.52) | ABL1RIN1SPHK1SPHK2 | |
| SCHEMBL10791696 | 0.84 | SPHK1 (0.54) | ABL1RIN1SPHK1SPHK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0155317-B1 | LIQUID CRYSTAL MIXTURES AND NEW ANISOTROPIC COMPOUNDS THEREFOR | MERCK PATENT GmbH (DE) | 1987-07-08 | — | — | EP | disclosed |