Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | RARA | P10276 | 2/20 | 0.40 |
| ▸ | RARB | P10826 | 2/20 | 0.40 |
| ▸ | RARG | P13631 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 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 | |
|---|---|---|---|---|
| SCHEMBL8812831 | 0.85 | NR1H4 (0.46) | ALDH1A1LMNATP53CYP3A4HPGD | |
| SCHEMBL478021 | 0.84 | S1PR1 (0.45) | GAACA2HTR2APTGDR2 | |
| SCHEMBL29783248 | 0.84 | S1PR1 (0.45) | GAACA2HTR2APTGDR2 | |
| SCHEMBL31588889 | 0.83 | LMNA (0.44) | ALDH1A1GAALMNATP53CYP3A4 | |
| SCHEMBL13964102 | 0.83 | LMNA (0.44) | ALDH1A1GAALMNATP53CYP3A4 | |
| SCHEMBL10204755 | 0.81 | CYP3A4 (0.47) | ALDH1A1GAALMNATP53CYP3A4 | |
| SCHEMBL9636833 | 0.81 | GAA (0.46) | ALDH1A1GAALMNATP53CYP3A4 | |
| SCHEMBL6759864 | 0.81 | CA2 (0.39) | ALDH1A1GAACA2MEN1KMT2A | |
| SCHEMBL9885330 | 0.80 | GABRA1 (0.46) | ALDH1A1GAALMNATP53CYP3A4 | |
| SCHEMBL7261819 | 0.80 | DRD2 (0.40) | ALDH1A1GAALMNAHPGDKDM4E |
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-6251928-B1 | ADMINISTERING BENZYLIDENE RHODANINES WHICH ARE USEFUL AS AGENTS IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH BETA-AMYLOID PEPTIDE IN A MAMMAL | ELI LILLY AND COMPANY | 2001-06-26 | — | — | US | disclosed |