Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 8/20 | 0.50 |
| ▸ | HTR2C | P28335 | 6/20 | 0.38 |
| ▸ | HTR2B | P41595 | 6/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | NOS3 | P29474 | 3/20 | 0.37 |
| ▸ | NOS2 | P35228 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29723594 | 0.83 | HTR2A (0.50) | HTR2AHTR2CHTR2BHRH3SIGMAR1 | |
| SCHEMBL2766554 | 0.83 | HTR2A (0.50) | HTR2AHTR2CHTR2BHRH3SIGMAR1 | |
| Ammonia Solution, Strong SCHEMBL2786789 | 0.81 | HTR2A (0.49) | HTR2AHTR2CHTR2BHRH3SIGMAR1 | |
| Hydrochloric Acid SCHEMBL8521423 | 0.79 | HTR2A (0.50) | HTR2AHTR2CHTR2BHRH3SIGMAR1 | |
| Bromide SCHEMBL7360884 | 0.79 | HTR2A (0.47) | HTR2AHTR2CHTR2BHRH3SIGMAR1 | |
| Hydrochloric Acid SCHEMBL7424402 | 0.79 | HTR2A (0.50) | HTR2AHTR2CHTR2BHRH3SIGMAR1 | |
| SCHEMBL13391138 | 0.76 | ACHE (0.56) | HTR2AHTR2CHTR2BACHETSHR | |
| SCHEMBL11605889 | 0.74 | HTR2A (0.42) | HTR2AHTR2CHTR2BHRH3NOS3 | |
| SCHEMBL11328523 | 0.73 | HTR1A (0.43) | HTR2AHTR2CHTR2BACHENOS3 | |
| SCHEMBL14870745 | 0.72 | HTR2A (0.55) | HTR2AACHENOS3NOS2TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4258211-A | 4-Aminoaliphatic-2,3,5,6-[dibenzobicyclo[5.1.0]octanes] and salts thereof | MERCK & CO., INC. (US) | 1981-03-24 | — | — | US | disclosed |
| US-4082801-A | 4-Aminomethyldibenzobicyclo[5.1.0]octanes | MERCK & CO., INC. (US) | 1978-04-04 | — | — | US | disclosed |
| US-4062891-A | N-formyl-2,3,5,6-dibenzobicyclo[5.1.0]octan-4-methylamine | MERCK & CO., INC. (US) | 1977-12-13 | — | — | US | disclosed |
| US-3960974-A | 4-Halo-2,3,5,6-dibenzobicyclo[5.1.0]octane | MERCK & CO., INC. (US) | 1976-06-01 | — | — | US | disclosed |