Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 4/20 | 0.37 |
| ▸ | HTR1B | P28222 | 2/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TOP2A | P11388 | 1/20 | 0.31 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.31 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.31 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7536608 | 0.94 | NOS3 (0.39) | NOS3NOS1NOS2HTR1DHTR1B | |
| SCHEMBL14029058 | 0.90 | NOS3 (0.44) | NOS3NOS1NOS2HTR1DHTR1B | |
| SCHEMBL990706 | 0.88 | NOS3 (0.43) | NOS3NOS1NOS2HTR1DHTR1B | |
| Hydrochloric Acid SCHEMBL6367260 | 0.88 | NOS3 (0.43) | NOS3NOS1NOS2HTR1DHTR1B | |
| SCHEMBL14029045 | 0.86 | NOS3 (0.44) | NOS3NOS1NOS2HTR1DHTR1B | |
| SCHEMBL8031304 | 0.82 | — | — | |
| SCHEMBL9359077 | 0.81 | HTR1D (0.46) | NOS3NOS1NOS2HTR1DHTR1B | |
| SCHEMBL17547021 | 0.79 | HTR1D (0.45) | NOS3NOS1NOS2HTR1DHTR1B | |
| SCHEMBL9355222 | 0.78 | HTR1D (0.51) | NOS3NOS1NOS2HTR1DHTR1B | |
| SCHEMBL28285173 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0919555-B1 | Process for the preparation of bicyclic amidines, diazacycloalkenes and a process for their preparation | BASF AG (DE) | 2002-05-08 | — | — | EP | disclosed |
| US-6166207-A | Preparation of bicyclic amidines and diazacycloalkenes | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-26 | — | — | US | disclosed |
| EP-0919555-A1 | Process for the preparation of bicyclic amidines, diazacycloalkenes and a process for their preparation | BASF AKTIENGESELLSCHAFT (DE) | 1999-06-02 | — | — | EP | disclosed |