Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6982176 | 1.00 | CA2 (0.59) | CA2ADRA1AADRA1DADRA1BFFAR1 | |
| SCHEMBL29444744 | 0.87 | CA2 (0.46) | CA2ADRA1AADRA1DADRA1BFFAR1 | |
| SCHEMBL11003287 | 0.87 | CA2 (0.46) | CA2ADRA1AADRA1DADRA1BFFAR1 | |
| SCHEMBL28718935 | 0.87 | CA2 (0.46) | CA2ADRA1AADRA1DADRA1BFFAR1 | |
| SCHEMBL4962929 | 0.87 | CA2 (0.47) | CA2ADRA1AADRA1DADRA1BFFAR1 | |
| SCHEMBL4962924 | 0.87 | CA2 (0.47) | CA2ADRA1AADRA1DADRA1BFFAR1 | |
| SCHEMBL6981984 | 0.82 | CA2 (0.41) | CA2ADRA1AADRA1DADRA1BHTT | |
| SCHEMBL6985813 | 0.82 | ADRA1A (0.49) | CA2ADRA1AADRA1DADRA1BHTT | |
| SCHEMBL6985807 | 0.82 | ADRA1A (0.49) | CA2ADRA1AADRA1DADRA1BHTT | |
| SCHEMBL6981978 | 0.82 | CA2 (0.41) | CA2ADRA1AADRA1DADRA1BHTT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110092774-B | Aromatic propionic acid derivative, preparation method and application thereof | 中国科学院上海药物研究所 | 2022-04-08 | — | — | CN | disclosed |
| 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 |