Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | RAD52 | P43351 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15977 | 0.89 | CYP3A4 (0.70) | ALDH1A1CYP3A4TDP1TSHRMAPT | |
| SCHEMBL31285785 | 0.89 | CYP3A4 (0.70) | ALDH1A1CYP3A4TDP1TSHRMAPT | |
| SCHEMBL9013602 | 0.87 | ACHE (0.68) | ALDH1A1CYP3A4TDP1ACHEMAPT | |
| SCHEMBL15831 | 0.87 | ACHE (0.68) | ALDH1A1CYP3A4TDP1ACHEMAPT | |
| SCHEMBL2923178 | 0.87 | CYP3A4 (0.74) | ALDH1A1CYP3A4TDP1TSHRACHE | |
| SCHEMBL8771469 | 0.87 | CYP3A4 (0.74) | ALDH1A1CYP3A4TDP1TSHRACHE | |
| SCHEMBL13573418 | 0.83 | HPGD (0.52) | ALDH1A1TDP1MAPTL3MBTL1HPGD | |
| SCHEMBL24690513 | 0.83 | MAPT (0.61) | ALDH1A1CYP3A4ACHEMAPTCYP1A2 | |
| SCHEMBL31396093 | 0.82 | MAPT (0.75) | ALDH1A1CYP3A4TDP1TSHRMAPT | |
| SCHEMBL28309142 | 0.82 | HPGD (0.68) | ALDH1A1TDP1TSHRMAPTL3MBTL1 |
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-2018052692-A1 | LUBRICATING COMPOSITION AND METHOD OF LUBRICATING AN INTERNAL COMBUSTION ENGINE | THE LUBRIZOL CORPORATION (US) | 2018-03-22 | — | — | WO | disclosed |