Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.67 |
| ▸ | RAB9A | P51151 | 5/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
| ▸ | RARB | P10826 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8946781 | 0.96 | NPC1 (0.63) | NPC1RAB9AHSD17B10LMNASMN1; SMN2 | |
| SCHEMBL15060975 | 0.85 | KCNH2 (0.67) | NPC1RAB9AHSD17B10LMNASMN1; SMN2 | |
| SCHEMBL7342399 | 0.85 | KCNH2 (0.67) | NPC1RAB9AHSD17B10LMNASMN1; SMN2 | |
| SCHEMBL11613368 | 0.84 | ALDH1A1 (0.52) | NPC1RAB9AHSD17B10LMNASMN1; SMN2 | |
| SCHEMBL11615110 | 0.84 | NPC1 (0.67) | NPC1RAB9AHSD17B10LMNASMN1; SMN2 | |
| SCHEMBL11614827 | 0.83 | RAB9A (0.58) | NPC1RAB9AHSD17B10LMNASMN1; SMN2 | |
| SCHEMBL5166263 | 0.83 | TDP1 (0.66) | LMNASMN1; SMN2ALDH1A1MAPTKMT2A | |
| SCHEMBL13527301 | 0.82 | RARB (0.68) | NPC1RAB9AHSD17B10LMNASMN1; SMN2 | |
| SCHEMBL11616638 | 0.82 | NPC1 (0.68) | NPC1RAB9AHSD17B10LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11616642 | 0.82 | NPC1 (0.65) | NPC1RAB9AHSD17B10LMNASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-61260067-A | — | — | None | — | — | JP | disclosed |
| US-5112523-A | High clearing point for liquid crystal displays | CHISSO CORPORATION (JP) | 1992-05-12 | — | — | US | disclosed |
| JP-S61260067-A | 5-PYRIMIDINECARBOXYLATE DERIVATIVE | CHISSO CORP | 1986-11-18 | — | — | JP | disclosed |
| US-4066570-A | OPTICAL CELLS, NEMATIC MIXTURES, LIQUID CRYSTALS | HOFFMAN-LA ROCHE INC. (US) | 1978-01-03 | — | — | US | disclosed |
| US-3997536-A | LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1976-12-14 | — | — | US | disclosed |