Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 3/20 | 0.55 |
| ▸ | HTR1D | P28221 | 11/20 | 0.53 |
| ▸ | HTR1B | P28222 | 11/20 | 0.53 |
| ▸ | HTR2A | P28223 | 3/20 | 0.51 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL6969558 | 0.88 | MPO (0.60) | MPOHTR1DHTR1BHTR2ABRD4 | |
| SCHEMBL6967767 | 0.86 | HTR1D (0.59) | MPOHTR1DHTR1BHTR2ABRD4 | |
| SCHEMBL6966135 | 0.85 | MPO (0.57) | MPOHTR1DHTR1BHTR2ABRD4 | |
| SCHEMBL6967764 | 0.81 | SLC6A4 (0.58) | HTR1DHTR1BHTR2A | |
| SCHEMBL6965686 | 0.81 | HTR1A (0.54) | MPOHTR1DHTR1BHTR2A | |
| SCHEMBL6968414 | 0.81 | DRD3 (0.56) | MPOHTR1DHTR1BHTR2ADRD3 | |
| SCHEMBL6968418 | 0.80 | MPO (0.45) | MPOHTR1DHTR1BHTR2ABRD4 | |
| SCHEMBL6970858 | 0.77 | MPO (0.58) | MPOHTR1DHTR1BHTR2ABRD4 | |
| SCHEMBL6968234 | 0.77 | HTR1D (0.53) | MPOHTR1DHTR1BHTR2ADRD3 | |
| SCHEMBL27095364 | 0.74 | HTR7 (0.71) | MPOHTR1DHTR1BHTR2ADRD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0944595-B1 | 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS | NPS ALLELIX CORP (CA) | 2003-10-01 | — | — | EP | claimed |
| US-5998438-A | SEROTONIN RECEPTOR ANTAGONIST; HEADACHE THERAPY | ALLELIX BIOPHARMACEUTICALS, INC. (CA) | 1999-12-07 | — | — | US | claimed |
| EP-0944595-B1 | 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS | NPS ALLELIX CORP (CA) | 2003-10-01 | — | — | EP | disclosed |
| US-6489512-B1 | REACTING AROMATIC COMPOUND BEARING ACTIVATED CARBON ATOM AND HYDRAZONE IN PRESENCE OF TRANSITION METAL CATALYST TO FORM ARYL HYDRAZONE, HYDROLYZING TO FORM ARYL HYDRAZINE, CYCLIZING IN PRESENCE OF ACID CATALYST TO FORM SUBSTITUTED INDOLE | RHODIA CHIREX INC. | 2002-12-03 | — | — | US | disclosed |
| US-5998438-A | SEROTONIN RECEPTOR ANTAGONIST; HEADACHE THERAPY | ALLELIX BIOPHARMACEUTICALS, INC. (CA) | 1999-12-07 | — | — | US | disclosed |