Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.58 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.58 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.58 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.54 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8382829 | 1.00 | ADRA2A (0.58) | ADRA2AADRA2BADRA2CCACNA1IADRA1D | |
| SCHEMBL6978123 | 0.90 | ADRA2A (0.58) | ADRA2AADRA2BADRA2CCACNA1IADRA1D | |
| SCHEMBL8385735 | 0.90 | ADRA2A (0.58) | ADRA2AADRA2BADRA2CCACNA1IADRA1D | |
| SCHEMBL6978133 | 0.90 | ADRA2A (0.58) | ADRA2AADRA2BADRA2CCACNA1IADRA1D | |
| SCHEMBL6980428 | 0.90 | ADRA2A (0.58) | ADRA2AADRA2BADRA2CCACNA1IADRA1D | |
| SCHEMBL8382679 | 0.90 | ADRA2A (0.58) | ADRA2AADRA2BADRA2CCACNA1IADRA1D | |
| SCHEMBL8382840 | 0.90 | ADRA2A (0.58) | ADRA2AADRA2BADRA2CCACNA1IADRA1D | |
| SCHEMBL6983471 | 0.89 | ADRA2A (0.71) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL8386721 | 0.88 | CACNA1I (0.53) | ADRA2AADRA2BADRA2CCACNA1IADRA1D | |
| SCHEMBL6980314 | 0.88 | CACNA1I (0.53) | ADRA2AADRA2BADRA2CCACNA1IADRA1D |
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 12 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 | claimed |
| CN-1071755-C | Heterocyclylcarboxamide derivatives and their use as therapeutic agents | KNOLL AG (DE) | 2001-09-26 | — | — | CN | claimed |
| 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 | claimed |
| CN-1190967-A | Heterocyclylcarboxamide derivatives and their use as therapeutic agents | KNOLL AG (DE) | 1998-08-19 | — | — | CN | claimed |
| EP-0839145-A1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1998-05-06 | — | — | EP | claimed |
| WO-1997003071-A1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | KNOLL AKTIENGESELLSCHAFT (DE) | 1997-01-30 | — | — | WO | claimed |
| EP-0839145-B1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | ABBOTT GMBH & CO KG (DE) | 2003-11-05 | — | — | EP | disclosed |
| CN-1071755-C | Heterocyclylcarboxamide derivatives and their use as therapeutic agents | KNOLL AG (DE) | 2001-09-26 | — | — | CN | 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 |
| CN-1190967-A | Heterocyclylcarboxamide derivatives and their use as therapeutic agents | KNOLL AG (DE) | 1998-08-19 | — | — | CN | 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 |