Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.73 |
| ▸ | ADRA1A | P35348 | 6/20 | 0.73 |
| ▸ | ADRA1D | P25100 | 5/20 | 0.73 |
| ▸ | ADRA1B | P35368 | 5/20 | 0.73 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | PDE4A | P27815 | 1/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8877176 | 0.94 | HTR1A (0.78) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| Hydrochloric Acid SCHEMBL8876072 | 0.93 | HTR1A (0.76) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| Hydrochloric Acid SCHEMBL8876074 | 0.93 | HTR1A (0.76) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL8876196 | 0.91 | HTR1A (0.78) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL8876351 | 0.89 | HTR1A (0.81) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL7051606 | 0.88 | HTR1A (0.72) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL10991960 | 0.87 | HTR1A (0.72) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL10984054 | 0.87 | HTR1A (0.75) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL8875337 | 0.87 | HTR1A (0.77) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL8875520 | 0.86 | HTR1A (0.84) | HTR1AADRA1AADRA1DADRA1BLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5605896-A | Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1997-02-25 | — | — | US | claimed |
| US-5605896-A | Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1997-02-25 | — | — | US | disclosed |