Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | NQO2 | P16083 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23457679 | 1.00 | ALDH1A1 (0.48) | ALDH1A1CYP1A1CYP1B1ACHECYP3A4 | |
| SCHEMBL16079851 | 0.91 | ALDH1A1 (0.41) | ALDH1A1ACHECYP3A4ERN1KDM4E | |
| SCHEMBL2092735 | 0.91 | ALDH1A1 (0.58) | ALDH1A1CYP1A1CYP1B1CYP3A4ESR1 | |
| SCHEMBL1190708 | 0.86 | ALDH1A1 (0.46) | ALDH1A1CYP3A4ERN1MAPTHPGD | |
| SCHEMBL21726722 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CYP1A1CYP1B1ESR1NQO2 | |
| SCHEMBL12501 | 0.81 | ALDH1A1 (0.73) | ALDH1A1CYP1A1CYP1B1ACHECYP3A4 | |
| SCHEMBL18573171 | 0.78 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL27618726 | 0.78 | ALDH1A1 (0.42) | ALDH1A1CYP1A1CYP1B1NQO2TDP1 | |
| SCHEMBL8804437 | 0.77 | ALDH1A1 (0.48) | ALDH1A1CYP1A1CYP1B1ACHECYP3A4 | |
| SCHEMBL17898604 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP3A4ERN1KDM4EMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4007748-A1 | ENOL ETHER PROPERFUME | Firmenich SA (CH) | 2022-06-08 | — | — | EP | disclosed |