Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | BRAF | P15056 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | GABRP | O00591 | 1/20 | 0.30 |
| ▸ | GABRD | O14764 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.30 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2429665 | 0.88 | NPC1 (0.45) | NPC1RAB9AALDH1A1KDM4EKMT2A | |
| Imidazole SCHEMBL28941614 | 0.77 | ALDH1A1 (0.46) | NPC1RAB9AALDH1A1FKBP5KDM4E | |
| Imidazole SCHEMBL7859328 | 0.75 | ALDH1A1 (0.48) | ALDH1A1FKBP5 | |
| Imidazole SCHEMBL28418796 | 0.75 | ALDH1A1 (0.48) | ALDH1A1FKBP5 | |
| SCHEMBL9139120 | 0.74 | NPC1 (0.42) | NPC1RAB9AALDH1A1KDM4EKMT2A | |
| SCHEMBL5838309 | 0.72 | NPC1 (0.42) | NPC1RAB9AALDH1A1KDM4EKMT2A | |
| SCHEMBL4636002 | 0.72 | NPC1 (0.40) | NPC1RAB9AALDH1A1KDM4EKMT2A | |
| Imidazole SCHEMBL28251959 | 0.70 | ALDH1A1 (0.42) | ALDH1A1FKBP5KMT2A | |
| SCHEMBL262815 | 0.69 | — | — | |
| SCHEMBL5164159 | 0.69 | NPC1 (0.40) | NPC1RAB9AALDH1A1KDM4EKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-110177856-A | Liquid crystal aligning agent composition, method for manufacturing liquid crystal alignment film using same, and liquid crystal alignment film using same | 株式会社LG化学 | 2019-08-27 | — | — | CN | disclosed |