Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.55 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.55 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.55 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11223525 | 0.88 | LMNA (0.56) | CHRNB2CHRNA4CHRNB4CHRNA3NPC1 | |
| SCHEMBL15651532 | 0.82 | NPC1 (0.51) | CHRNB2CHRNA4CHRNB4CHRNA3TDP1 | |
| SCHEMBL9536394 | 0.82 | CHRNB2 (0.49) | CHRNB2CHRNA4CHRNB4CHRNA3HCAR2 | |
| SCHEMBL30781857 | 0.82 | CHRNB2 (0.52) | CHRNB2CHRNA4CHRNB4CHRNA3HCAR2 | |
| Trimethylammonium SCHEMBL9482623 | 0.81 | ALDH1A1 (0.58) | HCAR2TDP1ESR1ESR2NPC1 | |
| SCHEMBL17434764 | 0.81 | TDP1 (0.56) | HCAR2TDP1ESR1ESR2NPC1 | |
| SCHEMBL30781926 | 0.81 | ATM (0.46) | CHRNB2CHRNA4CHRNB4CHRNA3HCAR2 | |
| Benzyl Dimethylcarbamate SCHEMBL5134244 | 0.81 | ALDH1A1 (0.62) | CHRNB2CHRNA4CHRNB4CHRNA3HCAR2 | |
| Benzyl Dimethylcarbamate SCHEMBL14031385 | 0.81 | ALDH1A1 (0.62) | CHRNB2CHRNA4CHRNB4CHRNA3HCAR2 | |
| Benzyl Dimethylcarbamate SCHEMBL20401678 | 0.81 | ALDH1A1 (0.62) | CHRNB2CHRNA4CHRNB4CHRNA3HCAR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8222200-B2 | Organic compounds | GIVAUDAN SA (CH) | 2012-07-17 | — | — | US | disclosed |
| US-8222200-B2 | Organic compounds | GIVAUDAN SA (CH) | 2012-07-17 | — | — | US | disclosed |
| EP-1613587-B1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2009-12-30 | — | — | EP | disclosed |