Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 9/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | RARB | P10826 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2919593 | 0.84 | ADRB2 (0.45) | CYP2D6CYP3A4CYP2C19CYP1A2L3MBTL1 | |
| SCHEMBL28842588 | 0.82 | CYP2D6 (0.46) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL22361664 | 0.77 | LTA4H (0.39) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL390994 | 0.77 | ADRB2 (0.39) | CYP3A4L3MBTL1TSHRTDP1ALDH1A1 | |
| SCHEMBL5583851 | 0.75 | CYP2D6 (0.76) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL9151170 | 0.75 | CYP2D6 (0.76) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL5561182 | 0.75 | — | — | |
| SCHEMBL20658161 | 0.74 | THRB (0.47) | TSHRHTT | |
| SCHEMBL20658210 | 0.74 | ADRB2 (0.41) | CYP3A4L3MBTL1TSHRTDP1ALDH1A1 | |
| SCHEMBL3484303 | 0.73 | LTA4H (0.48) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 |
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-1605595-A | Color adjustable poly(p-phenylene vinylene) copolymer electroluminescent materials and preparation method and use thereof | UNIV BEIJING NORMAL (CN) | 2005-04-13 | — | — | CN | disclosed |