Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL6376593 | 0.87 | GABRA1 (0.53) | GABRA1GABRB2ALOX5ATMKDM4E | |
| SCHEMBL17527230 | 0.85 | ALOX5 (0.48) | GABRA1GABRB2ALOX5ATMKDM4E | |
| SCHEMBL465122 | 0.82 | GABRA1 (0.46) | GABRA1GABRB2ALOX5ATMKDM4E | |
| SCHEMBL16638886 | 0.82 | KDM4E (0.53) | GABRA1GABRB2ALOX5ATMKDM4E | |
| SCHEMBL465088 | 0.82 | GABRA1 (0.46) | GABRA1GABRB2ALOX5ATMKDM4E | |
| SCHEMBL465047 | 0.82 | GABRA1 (0.49) | GABRA1GABRB2ALOX5ATMKDM4E | |
| SCHEMBL27002044 | 0.81 | KDM4E (0.61) | ATMKDM4ECYP3A4TSHRMAPK1 | |
| SCHEMBL427541 | 0.79 | ATM (0.68) | ATMKDM4ECYP3A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL1755743 | 0.78 | PTGS2 (0.48) | GABRA1GABRB2ALOX5ATMKDM4E | |
| SCHEMBL29277338 | 0.78 | CA2 (0.44) | ATMKDM4EALDH1A1CYP19A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2561051-A1 | ORGANIC CARBONATES WITH VANILLA ODOR | Firmenich SA (CH) | 2013-02-27 | — | — | EP | disclosed |
| WO-2011132098-A1 | ORGANIC CARBONATES WITH VANILLA ODOR | FIRMENICH SA (CH) | 2011-10-27 | — | — | WO | disclosed |