Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8382405 | 1.00 | CACNA1I (0.51) | CACNA1IADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL6977515 | 0.89 | ADRA2A (0.53) | CACNA1IADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL8385794 | 0.89 | ADRA2A (0.53) | CACNA1IADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL6978831 | 0.88 | CACNA1I (0.51) | CACNA1IADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL8386907 | 0.88 | CACNA1I (0.51) | CACNA1IADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL8386614 | 0.82 | CACNA1I (0.55) | CACNA1IADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL6981456 | 0.82 | CACNA1I (0.55) | CACNA1IADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL6979641 | 0.82 | ADRA1D (0.41) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL8384787 | 0.82 | ADRA1D (0.41) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL6980314 | 0.80 | CACNA1I (0.53) | CACNA1IADRA2AADRA2BADRA2CADRA1D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839145-B1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | ABBOTT GMBH & CO KG (DE) | 2003-11-05 | — | — | EP | disclosed |
| US-5935973-A | AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS | KNOLL AKTIENGESELLSCHAFT (DE) | 1999-08-10 | — | — | US | disclosed |
| EP-0839145-A1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1998-05-06 | — | — | EP | disclosed |
| WO-1997003071-A1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | KNOLL AKTIENGESELLSCHAFT (DE) | 1997-01-30 | — | — | WO | disclosed |