Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 4/20 | 0.41 |
| ▸ | HTR2C | P28335 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | CD44 | P16070 | 2/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | DRD5 | P21918 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL23104752 | 0.89 | HTR2C (0.45) | PNMTHTR2CADRA2AADRA2BADRA2C | |
| SCHEMBL29222757 | 0.82 | PNMT (0.49) | PNMTHTR2CHTR2AADRA2AADRA2B | |
| SCHEMBL23561744 | 0.79 | PNMT (0.41) | PNMTHTR2CHTR2AADRA2AADRA2B | |
| SCHEMBL23114392 | 0.79 | PNMT (0.41) | PNMTHTR2CHTR2AADRA2AADRA2B | |
| SCHEMBL12696301 | 0.78 | CYP3A4 (0.44) | PNMTHTR2CADRA2AADRA2BADRA2C | |
| SCHEMBL31587209 | 0.77 | ADRA2A (0.47) | HTR2CHTR2AADRA2AADRA2BADRA2C | |
| SCHEMBL29522031 | 0.77 | ADRA2A (0.52) | HTR2CHTR2AADRA2AADRA2BADRA2C | |
| SCHEMBL3373891 | 0.77 | ADRA2A (0.52) | HTR2CHTR2AADRA2AADRA2BADRA2C | |
| SCHEMBL3162510 | 0.77 | ADRA2A (0.47) | HTR2CHTR2AADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL29591748 | 0.76 | CYP3A4 (0.43) | PNMTHTR2CADRA2AADRA2BADRA2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1899330-A1 | SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT | Boehringer Ingelheim International GmbH (DE) | 2008-03-19 | — | — | EP | disclosed |
| WO-2007003536-A1 | SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-01-11 | — | — | WO | disclosed |