Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27724088 | 0.87 | NR4A2 (0.61) | CYP2A6MAOBNR4A2GABRA1GABRB1 | |
| SCHEMBL30914308 | 0.83 | CYP2A6 (0.54) | CYP2A6NR4A2ADRA1AADRA1B | |
| SCHEMBL497998 | 0.83 | CYP2A6 (0.54) | CYP2A6NR4A2ADRA1AADRA1B | |
| SCHEMBL1557611 | 0.82 | CYP2A6 (0.50) | CYP2A6MAOBNR4A2ADRA1AADRA1B | |
| SCHEMBL28770407 | 0.81 | NR4A2 (0.61) | NR4A2TUBB1GPR84 | |
| SCHEMBL27452734 | 0.81 | NR4A2 (0.41) | CYP2A6MAOBNR4A2TUBB1GPR84 | |
| SCHEMBL27984527 | 0.81 | NR4A2 (0.63) | NR4A2PIM3TUBB1RAB9A | |
| SCHEMBL8889647 | 0.80 | ALDH1A1 (0.59) | CYP2A6NR4A2ADRA1AADRA1BCHRNB2 | |
| SCHEMBL29781910 | 0.80 | PBRM1 (0.59) | CYP2A6NR4A2ADRA1AADRA1BCHRNB2 | |
| SCHEMBL17023350 | 0.80 | PBRM1 (0.59) | CYP2A6NR4A2ADRA1AADRA1BCHRNB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101952280-A | Bicyclic heterocyclic derivative | DAINIPPON SUMITOMO PHARMA CO | 2011-01-19 | — | — | CN | disclosed |
| CN-101142184-A | Sulfonamide peri-substituted bicyclics for occlusive artery disease | DECODE GENETICS INC (IS) | 2008-03-12 | — | — | CN | disclosed |