Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
| ▸ | G6PD | P11413 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.42 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | BID | P55957 | 3/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 3/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.41 |
| ▸ | BAK1 | Q16611 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | F7 | P08709 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7950466 | 1.00 | PDE5A (0.45) | PDE5AG6PDCASP7CASP6CYSLTR2 | |
| SCHEMBL30883176 | 0.88 | CYSLTR2 (0.40) | PDE5ACYSLTR2CYSLTR1TSHRBID | |
| SCHEMBL11213193 | 0.85 | PDE5A (0.49) | PDE5ACYSLTR2CYSLTR1TSHRCYP1A2 | |
| SCHEMBL11213197 | 0.85 | PDE5A (0.49) | PDE5ACYSLTR2CYSLTR1TSHRCYP1A2 | |
| SCHEMBL235535 | 0.84 | IAPP (0.47) | PDE5ACYSLTR2CYSLTR1TSHRCYP1A2 | |
| SCHEMBL29595059 | 0.84 | IAPP (0.47) | PDE5ACYSLTR2CYSLTR1TSHRCYP1A2 | |
| SCHEMBL31402641 | 0.84 | IAPP (0.47) | PDE5ACYSLTR2CYSLTR1TSHRCYP1A2 | |
| SCHEMBL235533 | 0.84 | IAPP (0.47) | PDE5ACYSLTR2CYSLTR1TSHRCYP1A2 | |
| SCHEMBL300775 | 0.84 | IAPP (0.47) | PDE5ACYSLTR2CYSLTR1TSHRCYP1A2 | |
| SCHEMBL6686354 | 0.82 | PDE5A (0.44) | PDE5ACYSLTR2CYSLTR1TSHRCYP1A2 |
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-6258854-B1 | KETONE ETHERS FOR ODORS | GIVAUDAN ROURE ( INTERNATIONAL ) SA (CH) | 2001-07-10 | — | — | US | disclosed |
| CN-1248569-A | Novel ketone | GIVAUDAN ROURE INTERNATION SA (CH) | 2000-03-29 | — | — | CN | disclosed |
| EP-0983990-A2 | Ketones useful as precursors for organoleptic compounds | Givaudan Roure (International) S.A. (CH) | 2000-03-08 | — | — | EP | disclosed |