Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 7/20 | 0.33 |
| ▸ | DRD5 | P21918 | 4/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | HTR1B | P28222 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3308477 | 1.00 | DRD1 (0.33) | DRD1DRD5CYP2D6CYP3A4DRD2 | |
| SCHEMBL4752668 | 0.84 | NPC1 (0.32) | — | |
| SCHEMBL4748999 | 0.80 | DRD1 (0.35) | DRD1DRD5CYP2D6DRD2CYP1A2 | |
| SCHEMBL4752664 | 0.79 | ALDH1A1 (0.37) | DRD1CYP2D6CYP3A4HSD17B10SLC6A2 | |
| SCHEMBL3310259 | 0.79 | ALDH1A1 (0.37) | DRD1CYP2D6CYP3A4HSD17B10SLC6A2 | |
| SCHEMBL3307455 | 0.78 | HPGD (0.40) | CYP1A2HSD17B10LMNASLC6A2MAPK1 | |
| SCHEMBL4751943 | 0.78 | DRD1 (0.34) | DRD1DRD5CYP2D6CYP3A4DRD2 | |
| SCHEMBL4435809 | 0.77 | SLC6A2 (0.32) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4431719 | 0.76 | SLC6A2 (0.31) | SLC6A2SLC6A4SLC6A3ALOX15 | |
| SCHEMBL3002089 | 0.75 | POLB (0.40) | CYP2C19HSD17B10LMNAMAPK1KDM4E |
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-2008135526-A1 | CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-11-13 | — | — | WO | disclosed |