Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.48 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.48 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 4/20 | 0.43 |
| ▸ | MMP13 | P45452 | 4/20 | 0.43 |
| ▸ | ADAM17 | P78536 | 4/20 | 0.43 |
| ▸ | MMP1 | P03956 | 4/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9959963 | 1.00 | TAS1R3 (0.48) | TAS1R3TAS1R1AHRTDP1ALDH1A1 | |
| SCHEMBL9960062 | 0.87 | RELA (0.49) | TAS1R3TAS1R1AHRALDH1A1MAPT | |
| SCHEMBL9960061 | 0.87 | RELA (0.49) | TAS1R3TAS1R1AHRALDH1A1MAPT | |
| SCHEMBL9955051 | 0.81 | EGFR (0.44) | TDP1ALDH1A1MAPTLMNATP53 | |
| SCHEMBL4271096 | 0.81 | EGFR (0.44) | TDP1ALDH1A1MAPTLMNATP53 | |
| SCHEMBL2787091 | 0.81 | EGFR (0.44) | TDP1ALDH1A1MAPTLMNATP53 | |
| SCHEMBL4262233 | 0.81 | EGFR (0.44) | TDP1ALDH1A1MAPTLMNATP53 | |
| SCHEMBL4264101 | 0.81 | EGFR (0.44) | TDP1ALDH1A1MAPTLMNATP53 | |
| SCHEMBL9955047 | 0.81 | EGFR (0.44) | TDP1ALDH1A1MAPTLMNATP53 | |
| SCHEMBL9954878 | 0.79 | ALDH1A1 (0.42) | ALDH1A1CYP3A4ALOX15TP53TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2655307-B1 | COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS | GIVAUDAN SA (CH) | 2018-08-01 | — | — | EP | claimed |
| EP-2654755-A1 | COMBINATION | Glaxosmithkline Intellectual Property (No. 2) Limited (GB) | 2013-10-30 | — | — | EP | disclosed |
| EP-2655307-A1 | COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS | Givaudan SA (CH) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012088030-A1 | COMBINATION | GLAXOSMITHKLINE LLC (US) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085287-A1 | COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS | GIVAUDAN SA (CH) | 2012-06-28 | — | — | WO | disclosed |