Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | FNTA | P49354 | 2/20 | 0.47 |
| ▸ | FNTB | P49356 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | SQLE | Q14534 | 2/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10623599 | 1.00 | ALDH1A1 (0.55) | ALDH1A1KDM4EATMFNTAFNTB | |
| SCHEMBL2965140 | 0.82 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMFNTAFNTB | |
| SCHEMBL8705357 | 0.82 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMFNTAFNTB | |
| SCHEMBL2965141 | 0.82 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMFNTAFNTB | |
| SCHEMBL10422680 | 0.80 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMPOLBKMT2A | |
| SCHEMBL14373919 | 0.78 | NR1I2 (0.71) | ALDH1A1KDM4EATMFNTAFNTB | |
| SCHEMBL16387740 | 0.75 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMFNTAFNTB | |
| SCHEMBL2861207 | 0.73 | NR1I2 (0.61) | ALDH1A1KDM4EATMFNTAFNTB | |
| SCHEMBL2861204 | 0.73 | NR1I2 (0.61) | ALDH1A1KDM4EATMFNTAFNTB | |
| Citral SCHEMBL2473483 | 0.72 | ALDH1A1 (0.91) | ALDH1A1KDM4EATMFNTAFNTB |
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-0172519-B1 | PROCESS FOR THE PREPARATION OF IONONES | BASF Aktiengesellschaft (DE) | 1988-11-23 | — | — | EP | disclosed |
| EP-0172519-A1 | Process for the preparation of ionones | BASF Aktiengesellschaft (DE) | 1986-02-26 | — | — | EP | disclosed |