Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | RGS12 | O14924 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3688115 | 0.81 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2ATDP1HPGD | |
| SCHEMBL1697445 | 0.75 | ACHE (0.55) | ALDH1A1MEN1KMT2ATDP1MAPK1 | |
| SCHEMBL12879 | 0.75 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2ATDP1HSD17B10 | |
| SCHEMBL29381010 | 0.75 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2ATDP1HSD17B10 | |
| SCHEMBL301282 | 0.75 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2ATDP1HPGD | |
| SCHEMBL17001112 | 0.75 | ESR1 (0.48) | ALDH1A1MEN1KMT2ATDP1HPGD | |
| SCHEMBL28347323 | 0.73 | SMN1; SMN2 (0.44) | ALDH1A1MEN1KMT2ATDP1HPGD | |
| SCHEMBL21065746 | 0.73 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2ATDP1HSD17B10 | |
| SCHEMBL1116059 | 0.73 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2ATDP1HPGD | |
| Hydrochloric Acid SCHEMBL2869751 | 0.73 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2ATDP1HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110526855-B | Preparation method of 3-nitroso substituted indole derivative | 郑州大学 | 2020-11-27 | — | — | CN | disclosed |
| CN-110526855-A | A kind of preparation method for the indole derivatives that 3- nitroso replaces | UNIV ZHENGZHOU | 2019-12-03 | — | — | CN | disclosed |