Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | LOX | P28300 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19426682 | 0.83 | ALDH1A1 (0.52) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL16820901 | 0.82 | ALDH1A1 (0.49) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL41372 | 0.80 | ALDH1A1 (0.82) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL6981568 | 0.76 | ALDH1A1 (0.58) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL1582969 | 0.76 | ALDH1A1 (0.91) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL1820762 | 0.76 | ALDH1A1 (1.00) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL8971457 | 0.74 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL2537399 | 0.74 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL8971919 | 0.74 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL8971420 | 0.74 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A |
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-2017214534-A1 | SYNTHESIS OF THE ARYLOMYCIN MACROCYCLIC CORE | THE SCRIPPS RESEARCH INSTITUTE (US) | 2017-12-14 | — | — | WO | disclosed |