Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10356522 | 1.00 | RARB (0.49) | RARBCYP2D6CYP3A4NPC1RAB9A | |
| SCHEMBL10356460 | 1.00 | RARB (0.49) | RARBCYP2D6CYP3A4NPC1RAB9A | |
| SCHEMBL10356524 | 1.00 | RARB (0.49) | RARBCYP2D6CYP3A4NPC1RAB9A | |
| SCHEMBL9817525 | 0.86 | HRH3 (0.47) | CYP3A4RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9817600 | 0.86 | HRH3 (0.47) | CYP3A4RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9817441 | 0.86 | HRH3 (0.47) | CYP3A4RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL10689392 | 0.84 | MAPT (0.64) | RARBCYP2D6CYP3A4NPC1RAB9A | |
| SCHEMBL8180289 | 0.83 | NPC1 (0.49) | RARBCYP3A4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8075871 | 0.83 | NPC1 (0.49) | RARBCYP3A4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8080787 | 0.83 | NPC1 (0.49) | RARBCYP3A4NPC1RAB9ASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0151446-B1 | LIQUID CRYSTAL PHASE | MERCK PATENT GmbH (DE) | 1990-09-19 | — | — | EP | disclosed |
| EP-0151446-A2 | Liquid crystal phase | MERCK PATENT GmbH (DE) | 1985-08-14 | — | — | EP | disclosed |