Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7738417 | 0.74 | MEN1 (0.39) | ALDH1A1NR1H2NR1H3CYP2A6MAPT | |
| SCHEMBL7738394 | 0.71 | MEN1 (0.31) | ALDH1A1 | |
| SCHEMBL7738387 | 0.71 | MEN1 (0.31) | ALDH1A1 | |
| SCHEMBL10757207 | 0.68 | ALDH1A1 (0.39) | ALDH1A1CYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL7739043 | 0.66 | NR1H2 (0.37) | ALDH1A1NR1H2NR1H3KDM4EGAA | |
| SCHEMBL16901815 | 0.66 | ALDH1A1 (0.37) | ALDH1A1CYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL7737536 | 0.66 | NR1H2 (0.51) | ALDH1A1NR1H2NR1H3CYP2A6KDM4E | |
| 2,5-Thiophenenedicarboxaldehyde SCHEMBL178830 | 0.65 | — | — | |
| SCHEMBL2363260 | 0.64 | DPP4 (0.47) | ALDH1A1CYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL8836682 | 0.64 | NR1H2 (0.63) | NR1H2NR1H3MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6416861-B1 | COMBINATORIAL CHEMISTRY | NORTHWESTERN UNIVERSITY | 2002-07-09 | — | — | US | disclosed |
| WO-2000049022-A2 | ORGANOSILICON COMPOUNDS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2000-08-24 | — | — | WO | disclosed |