Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | RHEB | Q15382 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30349840 | 0.89 | ALDH1A1 (0.64) | ALDH1A1KDM4ELMNAHTTL3MBTL1 | |
| SCHEMBL407841 | 0.87 | KDM4E (0.48) | ALDH1A1KDM4ELMNAHTTL3MBTL1 | |
| SCHEMBL29488679 | 0.82 | ALDH1A1 (0.51) | ALDH1A1KDM4EPOLBSMN1; SMN2NPC1 | |
| SCHEMBL1170648 | 0.81 | KDM4E (0.61) | ALDH1A1KDM4ELMNAHTTL3MBTL1 | |
| SCHEMBL6295674 | 0.80 | TAAR1 (0.55) | MMP1MMP3MMP7 | |
| SCHEMBL2098919 | 0.80 | KDM4E (0.51) | ALDH1A1KDM4ELMNAHTTL3MBTL1 | |
| SCHEMBL5032566 | 0.80 | HSP90AA1 (0.53) | ALDH1A1KDM4ELMNAHTTL3MBTL1 | |
| Hydrochloric Acid SCHEMBL6295672 | 0.79 | TAAR1 (0.54) | MMP1MMP3MMP7 | |
| SCHEMBL1202574 | 0.78 | KDM4E (0.50) | ALDH1A1KDM4ELMNAHTTL3MBTL1 | |
| SCHEMBL18782890 | 0.78 | KDM4E (0.50) | ALDH1A1KDM4ELMNAHTTL3MBTL1 |
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-114230523-A | Benzimidazole derivatives as modulators of ROR-gamma | 生命医药有限责任公司 | 2022-03-25 | — | — | CN | disclosed |