Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | FNTA | P49354 | 2/20 | 0.44 |
| ▸ | FNTB | P49356 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Citral SCHEMBL3685905 | 1.00 | ALDH1A1 (0.58) | ALDH1A1NR1I2LMNAPGRFNTA | |
| SCHEMBL1275716 | 0.90 | NR1I2 (0.59) | ALDH1A1NR1I2LMNAPGRFNTA | |
| SCHEMBL1275719 | 0.90 | NR1I2 (0.59) | ALDH1A1NR1I2LMNAPGRFNTA | |
| Citral SCHEMBL3684832 | 0.79 | ALDH1A1 (0.70) | ALDH1A1NR1I2LMNAPGRFNTA | |
| SCHEMBL2861207 | 0.79 | NR1I2 (0.61) | ALDH1A1NR1I2LMNAPGRFNTA | |
| SCHEMBL2861204 | 0.79 | NR1I2 (0.61) | ALDH1A1NR1I2LMNAPGRFNTA | |
| Citral SCHEMBL357176 | 0.78 | ALDH1A1 (0.88) | ALDH1A1NR1I2LMNAPGRFNTA | |
| Citral SCHEMBL31138003 | 0.77 | ALDH1A1 (0.72) | ALDH1A1NR1I2LMNAPGRFNTA | |
| Citral SCHEMBL17652423 | 0.77 | ALDH1A1 (0.78) | ALDH1A1NR1I2LMNAPGRFNTA | |
| Citral SCHEMBL2473483 | 0.77 | ALDH1A1 (0.91) | ALDH1A1NR1I2LMNAPGRFNTA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2150516-A1 | ALDOL CONDENSATION REACTION AND CATALYST THEREFORE | DSM IP Assets B.V. (NL) | 2010-02-10 | — | — | EP | disclosed |
| EP-2134670-A1 | NOVEL PROCESS FOR THE PREPARATION OF TIMBERONE | DSM IP Assets B.V. (NL) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008145350-A1 | ALDOL CONDENSATION REACTION AND CATALYST THEREFORE | DSM IP ASSETS B.V. (NL) | 2008-12-04 | — | — | WO | disclosed |
| WO-2008113545-A1 | NOVEL PROCESS FOR THE PREPARATION OF TIMBERONE | DSM IP ASSETS B.V. (NL) | 2008-09-25 | — | — | WO | disclosed |