Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | OGG1 | O15527 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL28033810 | 0.83 | MAPT (0.47) | HTTLMNACYP2C19CYP1A2KMT2A | |
| SCHEMBL28652779 | 0.74 | CYP2D6 (0.40) | SMN1; SMN2OGG1CES2CES1LMNA | |
| SCHEMBL1141842 | 0.74 | OGG1 (0.42) | HTTSMN1; SMN2OGG1HDAC3HDAC1 | |
| SCHEMBL18039462 | 0.73 | OGG1 (0.39) | SMN1; SMN2OGG1LMNACYP2C9CYP2C19 | |
| SCHEMBL5898573 | 0.73 | OGG1 (0.41) | SMN1; SMN2OGG1HDAC3HDAC1HDAC2 | |
| SCHEMBL6222218 | 0.73 | OGG1 (0.41) | SMN1; SMN2OGG1HDAC3HDAC1HDAC2 | |
| SCHEMBL18530405 | 0.71 | CYP2D6 (0.38) | SMN1; SMN2OGG1CES2CES1LMNA | |
| SCHEMBL18530402 | 0.71 | CYP2D6 (0.38) | SMN1; SMN2OGG1CES2CES1LMNA | |
| SCHEMBL27808403 | 0.71 | OGG1 (0.37) | SMN1; SMN2OGG1LMNACYP2C9CYP2C19 | |
| SCHEMBL18039529 | 0.70 | RAB9A (0.38) | SMN1; SMN2OGG1CES2CES1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009145360-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |