Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RARA | P10276 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8748613 | 0.97 | RARB (0.37) | RARBCYP1A2CYP2C19CYP2C9CYP19A1 | |
| SCHEMBL8748871 | 0.96 | RARB (0.36) | RARBCYP1A2CYP2C19CYP2C9CYP19A1 | |
| SCHEMBL8748384 | 0.96 | RARB (0.36) | RARBCYP1A2CYP2C19CYP2C9CYP19A1 | |
| SCHEMBL8748426 | 0.96 | RARB (0.36) | RARBCYP1A2CYP2C19CYP2C9CYP19A1 | |
| SCHEMBL8748230 | 0.91 | L3MBTL1 (0.35) | CYP1A2CYP2C19CYP2C9CYP19A1TSHR | |
| SCHEMBL8748837 | 0.85 | CYP1A2 (0.50) | RARBCYP1A2CYP2C19CYP2C9CYP19A1 | |
| SCHEMBL8748617 | 0.82 | CYP1A2 (0.46) | RARBCYP1A2CYP2C19CYP2C9CYP19A1 | |
| SCHEMBL8748914 | 0.81 | TP53 (0.36) | RARBCYP1A2CYP2C19CYP2C9CYP19A1 | |
| SCHEMBL8748388 | 0.81 | CYP1A2 (0.45) | RARBCYP1A2CYP2C19CYP2C9CYP19A1 | |
| SCHEMBL8748429 | 0.81 | CYP1A2 (0.45) | RARBCYP1A2CYP2C19CYP2C9CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0754685-A2 | Derivatives from alkoxyalkoxy substituted nitrogen containing hetero rings | Rolic AG (CH) | 1997-01-22 | — | — | EP | disclosed |