Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | BLM | P54132 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 2/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | GMNN | O75496 | 1/20 | 0.53 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5710193 | 0.83 | ALDH1A1 (0.54) | ALDH1A1KMT2ATSHRMAPK1MEN1 | |
| SCHEMBL39434 | 0.76 | HSPA5 (0.74) | ALDH1A1KMT2ATSHRMAPK1MEN1 | |
| SCHEMBL25906927 | 0.75 | ALDH1A1 (0.49) | ALDH1A1KMT2ATSHRMAPK1MEN1 | |
| SCHEMBL16772307 | 0.74 | ALDH1A1 (0.68) | ALDH1A1KMT2ATSHRMAPK1MEN1 | |
| SCHEMBL3238817 | 0.74 | ALDH1A1 (0.68) | ALDH1A1KMT2ATSHRMAPK1MEN1 | |
| Benzene SCHEMBL9807217 | 0.74 | ALDH1A1 (0.59) | ALDH1A1KMT2ATSHRMAPK1MEN1 | |
| SCHEMBL11585986 | 0.74 | ALDH1A1 (0.58) | ALDH1A1KMT2ATSHRMAPK1MEN1 | |
| SCHEMBL39559 | 0.73 | ALDH1A1 (0.63) | ALDH1A1KMT2ATSHRMAPK1MEN1 | |
| SCHEMBL10399005 | 0.73 | ALDH1A1 (0.54) | ALDH1A1KMT2ATSHRMAPK1MEN1 | |
| SCHEMBL8310748 | 0.73 | ALDH1A1 (0.53) | ALDH1A1KMT2ATSHRMAPK1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015023559-A1 | METHODS FOR MODIFYING AUTO-IGNITION PROPERTIES OF A BASE OIL OR LUBRICANT COMPOSITION | SHELL OIL COMPANY (US) | 2015-02-19 | — | — | WO | disclosed |