Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 8/20 | 0.38 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | SPHK2 | Q9NRA0 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10789001 | 0.95 | NPC1 (0.49) | NPC1RAB9ARORCCYP2C9MAPT | |
| SCHEMBL10787883 | 0.87 | ABL1 (0.47) | RAB9ACYP2C9MAPTALDH1A1LMNA | |
| SCHEMBL10787929 | 0.86 | SPHK1 (0.45) | CYP2C9ALDH1A1SPHK1SPHK2 | |
| SCHEMBL10787638 | 0.84 | SPHK1 (0.43) | NPC1RAB9ACYP2C9SPHK1SPHK2 | |
| SCHEMBL10791548 | 0.84 | SPHK1 (0.48) | NPC1RAB9ACYP2C9MAPTALDH1A1 | |
| SCHEMBL10787031 | 0.83 | ABL1 (0.44) | NPC1RAB9ACYP2C9MAPTALDH1A1 | |
| SCHEMBL10791063 | 0.82 | SPHK1 (0.47) | SPHK1SPHK2 | |
| SCHEMBL10787066 | 0.81 | SPHK1 (0.56) | ALDH1A1SPHK1SPHK2 | |
| SCHEMBL10787855 | 0.81 | SPHK1 (0.49) | SPHK1SPHK2 | |
| SCHEMBL10787052 | 0.81 | NPC1 (0.47) | NPC1RAB9ACYP2C9SPHK1 |
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 |