Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | HTR1B | P28222 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL8993815 | 1.00 | CYP2A6 (0.50) | CYP2A6HTR1BCA2CA12CTNNB1 | |
| SCHEMBL9234283 | 0.81 | CYP2A6 (0.53) | CYP2A6HTR1BCA2CA12CTNNB1 | |
| SCHEMBL7367499 | 0.79 | CYP2A6 (0.62) | CYP2A6HTR1BCA2CA12CTNNB1 | |
| SCHEMBL2455844 | 0.78 | CYP2A6 (0.56) | CYP2A6HTR1BCA2CA12CTNNB1 | |
| SCHEMBL2455847 | 0.78 | CYP2A6 (0.56) | CYP2A6HTR1BCA2CA12CTNNB1 | |
| SCHEMBL29084182 | 0.74 | HDAC1 (0.56) | CHRNB4CHRNA3CHRNA7HDAC1HDAC8 | |
| SCHEMBL29084177 | 0.74 | HDAC1 (0.56) | CHRNB4CHRNA3CHRNA7HDAC1HDAC8 | |
| SCHEMBL9113161 | 0.73 | CYP2A6 (0.36) | CYP2A6HTR1BHDAC1HDAC8 | |
| SCHEMBL16807606 | 0.72 | HDAC1 (0.37) | CA2CA12DYRK1AHDAC1TNNC1 | |
| SCHEMBL17821821 | 0.72 | CYP2A6 (0.61) | CYP2A6HTR1BCTNNB1WNT3ADYRK1A |
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-5550241-A | Adducts of cyclic carbonyl monomers and substituted alkens | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1996-08-27 | — | — | US | disclosed |