Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | SNCA | P37840 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12887979 | 0.88 | ALDH1A1 (0.50) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL24036626 | 0.86 | ALDH1A1 (0.44) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL12956016 | 0.80 | ALDH1A1 (0.40) | ALDH1A1CYP3A4HSD17B10HPGDSNCA | |
| SCHEMBL29609435 | 0.77 | MAPK14 (0.51) | ALDH1A1HSD17B10HPGDCYP1A2CYP2D6 | |
| Phosphoric Acid SCHEMBL30523889 | 0.75 | ESR1 (0.39) | SIRT2CA1CA2 | |
| SCHEMBL29658036 | 0.75 | MEN1 (0.38) | MEN1KMT2A | |
| SCHEMBL325696 | 0.75 | MEN1 (0.38) | MEN1KMT2A | |
| SCHEMBL27382283 | 0.74 | ALDH1A1 (0.34) | ALDH1A1CYP3A4HSD17B10HPGDEPHX2 | |
| SCHEMBL24296252 | 0.74 | ALDH1A1 (0.32) | ALDH1A1CYP3A4HSD17B10HPGDDHFR | |
| SCHEMBL182655 | 0.74 | ALDH1A1 (0.86) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022174525-A1 | COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国药科大学 | 2022-08-25 | — | — | WO | disclosed |
| WO-2022174526-A1 | COMPOUNDS AND MEDICAL USE THEREOF FOR COLORECTAL CANCER | 中国药科大学 | 2022-08-25 | — | — | WO | disclosed |
| WO-2022116714-A1 | COMPOUND AND MEDICAL USE THEREOF FOR NOVEL CORONAVIRUS PNEUMONIA | 中国药科大学 | 2022-06-09 | — | — | WO | disclosed |
| CN-112920136-B | Compound and medical application thereof in novel coronavirus pneumonia | 中国药科大学 | 2022-05-03 | — | — | CN | disclosed |