Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 3/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28862245 | 0.79 | CHRNB2 (0.37) | CHRNB2CHRNA4HTR2CCYP2A6ACHE | |
| SCHEMBL29789832 | 0.79 | HTR2A (0.37) | HTR2CCA1CA2 | |
| SCHEMBL21387956 | 0.79 | CHRNB2 (0.37) | CHRNB2CHRNA4CA1CA2 | |
| SCHEMBL27491781 | 0.74 | CYP2A6 (0.41) | CHRNB2CHRNA4HTR2CCYP2A6CYP1A2 | |
| SCHEMBL30485647 | 0.74 | BRD4 (0.38) | HTR2C | |
| SCHEMBL2875769 | 0.74 | BRD4 (0.38) | HTR2C | |
| SCHEMBL20628977 | 0.73 | TDP1 (0.38) | CYP2A6CYP1A2TDP1 | |
| SCHEMBL5025415 | 0.72 | CYP2A6 (0.33) | CYP2A6ACHECYP1A2TDP1 | |
| SCHEMBL18533290 | 0.72 | ACHE (0.51) | ACHECA1CA2TDP1 | |
| SCHEMBL29476027 | 0.69 | ACHE (0.35) | CHRNB2CHRNA4HTR2CCYP2A6ACHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7700798-B1 | Erogorgiaene congeners and methods and intermediates useful in the preparation of same | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2010-04-20 | — | — | US | disclosed |