Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | SETDB1 | Q15047 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL1741193 | 0.86 | CYP2A6 (0.38) | GABRA1GABRB2ALDH1A1CYP2A6FFAR1 | |
| SCHEMBL4549077 | 0.82 | ALDH1A1 (0.38) | ALDH1A1CYP2A6FFAR1KDM4EMAPT | |
| SCHEMBL1400243 | 0.82 | GABRA1 (0.59) | GABRA1GABRB2ALDH1A1KDM4EHPGD | |
| SCHEMBL4981411 | 0.78 | GABRA1 (0.51) | GABRA1GABRB2ALDH1A1ALOX15AR | |
| SCHEMBL7651615 | 0.77 | LOXL2 (0.41) | GABRA1GABRB2 | |
| SCHEMBL13199458 | 0.77 | CYP2A6 (0.48) | ALDH1A1CYP2A6FFAR1KDM4EMAPT | |
| SCHEMBL587985 | 0.76 | KDM4C (0.33) | GABRA1GABRB2 | |
| SCHEMBL18934890 | 0.76 | LOXL2 (0.47) | ALDH1A1CYP2A6FFAR1FFAR4AR | |
| SCHEMBL8436238 | 0.76 | CYP2A6 (0.41) | ALDH1A1CYP2A6FFAR1MEN1KMT2A | |
| SCHEMBL18179295 | 0.76 | CYP2A6 (0.41) | ALDH1A1CYP2A6FFAR1KDM4EFFAR4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5274104-A | N-substituted heterocyclic derivatives useful in the treatment of cardiovascular disorders | ELF SANOFI, A FRENCH CORP. (FR) | 1993-12-28 | — | — | US | disclosed |