Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9139815 | 0.92 | PTGS2 (0.34) | ADRA2AADRA2BADRA2CMCHR1PTGS2 | |
| SCHEMBL8186216 | 0.91 | SLC6A4 (0.36) | CYP3A4 | |
| SCHEMBL8804674 | 0.90 | CARM1 (0.34) | ADRA2AADRA2BADRA2CMCHR1 | |
| SCHEMBL8804858 | 0.84 | CYP2D6 (0.36) | ADRA2AADRA2BADRA2CMCHR1CYP3A4 | |
| SCHEMBL9138352 | 0.83 | BACE1 (0.37) | ADRA2AADRA2BADRA2CCYP3A4 | |
| SCHEMBL9138413 | 0.82 | DRD3 (0.40) | ADRA2AADRA2BADRA2C | |
| SCHEMBL8806161 | 0.82 | GRIA2 (0.33) | — | |
| SCHEMBL8879255 | 0.82 | P2RX3 (0.37) | ADRA2AADRA2BADRA2CPTGS2CYP3A4 | |
| SCHEMBL8877192 | 0.81 | GRIN2B (0.36) | ADRA2AADRA2BADRA2CMCHR1PTGS2 | |
| SCHEMBL8177078 | 0.79 | ADRA1A (0.35) | ADRA2AADRA2BADRA2C |
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-0775135-B1 | N-SUBSTITUTED 3-AZABICYCLO (3.2.0)HEPTANE DERIVATIVES USEFUL AS NEUROLEPTICS | ABBOTT GMBH & CO KG (DE) | 2003-06-04 | — | — | EP | disclosed |
| US-6028073-A | N-substituted 3-azabicyclo (3.2.0)heptane derivatives useful as neuroleptics | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-22 | — | — | US | disclosed |