Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11511836 | 0.85 | ALDH1A1 (0.83) | ALDH1A1LMNACYP2C9CA1CA2 | |
| SCHEMBL12181468 | 0.84 | ALDH1A1 (0.68) | ALDH1A1LMNACYP2C9CA2KMT2A | |
| SCHEMBL10645456 | 0.82 | ALDH1A1 (0.70) | ALDH1A1LMNACYP2C9CA2KMT2A | |
| SCHEMBL30493991 | 0.81 | ALDH1A1 (0.63) | ALDH1A1LMNACYP2C9KMT2ATSHR | |
| SCHEMBL10476295 | 0.81 | ALDH1A1 (0.63) | ALDH1A1LMNACYP2C9KMT2ATSHR | |
| SCHEMBL4615358 | 0.81 | ALDH1A1 (0.63) | ALDH1A1LMNACYP2C9CA1CA2 | |
| SCHEMBL166809 | 0.80 | ALDH1A1 (0.71) | ALDH1A1LMNACYP2C9KMT2ATSHR | |
| SCHEMBL12362795 | 0.80 | ALDH1A1 (0.68) | ALDH1A1LMNACYP2C9CA1CA2 | |
| SCHEMBL1859957 | 0.80 | CA1 (0.62) | ALDH1A1LMNACA1CA2CA12 | |
| SCHEMBL9271788 | 0.80 | ALDH1A1 (0.56) | ALDH1A1LMNACA1CA2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-108069976-A | A kind of nitrogenous macrocyclic compounds, its preparation method, pharmaceutical composition and application | 山东罗欣药业集团股份有限公司 | 2018-05-25 | — | — | CN | disclosed |