Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.51 |
| ▸ | MEN1 | O00255 | 5/20 | 0.51 |
| ▸ | MMP2 | P08253 | 3/20 | 0.47 |
| ▸ | MMP9 | P14780 | 3/20 | 0.47 |
| ▸ | MMP8 | P22894 | 3/20 | 0.47 |
| ▸ | MMP13 | P45452 | 3/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | MITF | O75030 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | CXCR5 | P32302 | 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 | |
|---|---|---|---|---|
| SCHEMBL4866756 | 0.87 | ALDH1A1 (0.63) | ALDH1A1KMT2AMEN1MMP2MMP9 | |
| SCHEMBL27637998 | 0.80 | ALDH1A1 (0.63) | ALDH1A1KMT2AMEN1MMP2MMP9 | |
| SCHEMBL22410702 | 0.80 | ALDH1A1 (0.63) | ALDH1A1KMT2AMEN1MAPTSMN1; SMN2 | |
| SCHEMBL6963847 | 0.80 | ALDH1A1 (0.63) | ALDH1A1KMT2AMEN1MAPTSMN1; SMN2 | |
| SCHEMBL2817459 | 0.80 | ALDH1A1 (0.58) | ALDH1A1KMT2AMEN1MAPTSMN1; SMN2 | |
| SCHEMBL2813960 | 0.80 | ALDH1A1 (0.58) | ALDH1A1KMT2AMEN1MAPTSMN1; SMN2 | |
| SCHEMBL2812139 | 0.80 | ALDH1A1 (0.58) | ALDH1A1KMT2AMEN1RAB9ANPC1 | |
| SCHEMBL2230388 | 0.77 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1ACHEMAPT | |
| SCHEMBL29642602 | 0.77 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1ACHEMAPT | |
| SCHEMBL3591615 | 0.76 | ALDH1A1 (0.58) | ALDH1A1KMT2AMEN1MAPTSMN1; SMN2 |
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-107488145-A | A kind of Quinoline N-Oxide derivative of nitro substitution and preparation method thereof | 河南中医药大学 | 2017-12-19 | — | — | CN | disclosed |