Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.57 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PPARD | Q03181 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3807058 | 0.81 | ALDH1A1 (0.63) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL1361766 | 0.78 | ALDH1A1 (0.59) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL8540031 | 0.78 | ALDH1A1 (0.59) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL88416 | 0.76 | ALDH1A1 (0.68) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL9352993 | 0.76 | ALDH1A1 (0.68) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL437832 | 0.76 | ALDH1A1 (0.68) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL173301 | 0.75 | ALDH1A1 (0.64) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL2793675 | 0.74 | ALDH1A1 (0.65) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL3744646 | 0.74 | ALDH1A1 (0.65) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL2097190 | 0.74 | ALDH1A1 (0.65) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 |
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-1999014204-A1 | SUBSTITUTED 1,2,4-TRIAZOLES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | G.D. SEARLE & CO. (US) | 1999-03-25 | — | — | WO | disclosed |