Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 10/20 | 0.89 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.89 |
| ▸ | NPC1 | O15118 | 4/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.67 |
| ▸ | RAB9A | P51151 | 2/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.67 |
| ▸ | MAPT | P10636 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.61 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.61 |
| ▸ | RELA | Q04206 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.61 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.61 |
| ▸ | RARB | P10826 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL31621352 | 1.00 | CYP2D6 (0.89) | CYP2D6CYP3A4NPC1KDM4EALDH1A1 | |
| SCHEMBL31621357 | 1.00 | CYP2D6 (0.89) | CYP2D6CYP3A4NPC1KDM4EALDH1A1 | |
| SCHEMBL14129958 | 0.94 | CYP2D6 (1.00) | CYP2D6CYP3A4NPC1KDM4EALDH1A1 | |
| SCHEMBL17202992 | 0.91 | CYP2D6 (0.73) | CYP2D6CYP3A4NPC1KDM4EALDH1A1 | |
| SCHEMBL17202991 | 0.91 | CYP2D6 (0.73) | CYP2D6CYP3A4NPC1KDM4EALDH1A1 | |
| SCHEMBL9100935 | 0.89 | CYP2D6 (0.71) | CYP2D6CYP3A4NPC1KDM4EALDH1A1 | |
| SCHEMBL7507274 | 0.89 | CYP2D6 (0.71) | CYP2D6CYP3A4NPC1KDM4EALDH1A1 | |
| SCHEMBL1573619 | 0.89 | CYP2D6 (0.69) | CYP2D6CYP3A4NPC1KDM4EALDH1A1 | |
| SCHEMBL1874710 | 0.89 | CYP2D6 (0.69) | CYP2D6CYP3A4NPC1KDM4EALDH1A1 | |
| SCHEMBL1996527 | 0.89 | CYP2D6 (0.69) | CYP2D6CYP3A4NPC1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-120136777-A | C4-aryl pyridine iodized salt organic room-temperature phosphorescent material, and preparation method and application thereof | 天津师范大学 | 2025-06-13 | — | — | CN | disclosed |
| US-5139696-A | Hydrogen-bonded liquid crystal complexes | CORNELL RESEARCH FOUNDATION, INC. (US) | 1992-08-18 | — | — | US | disclosed |