Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | SCN1A | P35498 | 1/20 | 0.47 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.47 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6982237 | 1.00 | HTR1A (0.52) | HTR1ASIGMAR1CA2ADRA1DADRA1A | |
| SCHEMBL8105769 | 0.85 | HTR1A (0.52) | HTR1ASIGMAR1CA2ADRA1DADRA1A | |
| SCHEMBL8105772 | 0.85 | HTR1A (0.52) | HTR1ASIGMAR1CA2ADRA1DADRA1A | |
| SCHEMBL9458265 | 0.83 | HTR1A (0.72) | HTR1ASIGMAR1ADRA1DADRA1AADRA1B | |
| SCHEMBL8111361 | 0.82 | HTR1A (0.49) | HTR1ASIGMAR1ADRA1DADRA1AADRA1B | |
| SCHEMBL8111366 | 0.82 | HTR1A (0.49) | HTR1ASIGMAR1ADRA1DADRA1AADRA1B | |
| SCHEMBL8321140 | 0.82 | HTR1A (0.50) | HTR1ASIGMAR1ADRA1DADRA1AADRA1B | |
| Bromide SCHEMBL10370436 | 0.82 | HTR1A (0.70) | HTR1ASIGMAR1ADRA1DADRA1AADRA1B | |
| SCHEMBL8383294 | 0.82 | CA2 (0.48) | HTR1ASIGMAR1CA2ADRA1DADRA1A | |
| SCHEMBL10833179 | 0.81 | HTR1A (0.52) | HTR1ASIGMAR1ADRA1DADRA1AADRA1B |
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 10 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 |
| CN-1071755-C | Heterocyclylcarboxamide derivatives and their use as therapeutic agents | KNOLL AG (DE) | 2001-09-26 | — | — | CN | disclosed |
| US-6136825-A | ANTIDEPRESSANTS AND CENTRAL NERVOUS SYSTEM AGENTS | KNOLL AKTIENGESELLSCHAFT | 2000-10-24 | — | — | US | disclosed |
| CN-1247537-A | Sulfonamide compounds having 5-HT receptor activity | KNOLL AG (DE) | 2000-03-15 | — | — | CN | disclosed |
| EP-0948498-A1 | SULFONAMIDE COMPOUNDS HAVING 5-HT RECEPTOR ACTIVITY | KNOLL AKTIENGESELLSCHAFT (DE) | 1999-10-13 | — | — | 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 |
| CN-1190967-A | Heterocyclylcarboxamide derivatives and their use as therapeutic agents | KNOLL AG (DE) | 1998-08-19 | — | — | CN | disclosed |
| WO-1998029411-A1 | SULFONAMIDE COMPOUNDS HAVING 5-HT RECEPTOR ACTIVITY | KNOLL AKTIENGESELLSCHAFT (DE) | 1998-07-09 | — | — | WO | 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 |