Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 3/20 | 0.39 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23036930 | 1.00 | RARB (0.39) | RARBNR5A1CYP2D6CYP3A4KDM4E | |
| Bromide SCHEMBL5014150 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL5014143 | 0.84 | CYP3A4 (0.32) | CYP2D6CYP3A4 | |
| SCHEMBL2531378 | 0.82 | RARB (0.34) | RARBNR5A1CYP2D6CYP3A4KDM4E | |
| SCHEMBL8031583 | 0.82 | RARB (0.34) | RARBNR5A1CYP2D6CYP3A4KDM4E | |
| SCHEMBL28087192 | 0.82 | PTPN1 (0.40) | LTA4H | |
| SCHEMBL28436255 | 0.81 | RARB (0.40) | RARBNR5A1CYP2D6CYP3A4KDM4E | |
| SCHEMBL28493240 | 0.81 | RARB (0.40) | RARBNR5A1CYP2D6CYP3A4KDM4E | |
| Hydrochloric Acid SCHEMBL27856205 | 0.81 | RARB (0.38) | RARBNR5A1CYP2D6CYP3A4KDM4E | |
| SCHEMBL21523874 | 0.81 | RARB (0.40) | RARBNR5A1CYP2D6CYP3A4KDM4E |
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-108530609-A | The preparation and application of porphyrin polymer and synthetic method and memristor and memristor | 南京邮电大学 | 2018-09-14 | — | — | CN | disclosed |