Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 5/20 | 0.52 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL76489 | 0.81 | ALDH1A1 (0.67) | ALDH1A1MAPK1TDP1HDAC3CA12 | |
| SCHEMBL6221308 | 0.81 | ALDH1A1 (0.52) | ALDH1A1MAPK1TDP1HDAC3CA12 | |
| SCHEMBL2931801 | 0.81 | AKT1 (0.54) | ALDH1A1HDAC3CA12CA1IDO1 | |
| Hydrochloric Acid SCHEMBL27693713 | 0.79 | ALDH1A1 (0.64) | ALDH1A1MAPK1TDP1HDAC3CA12 | |
| SCHEMBL20296934 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TDP1HDAC3CA12CA1 | |
| SCHEMBL20296933 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TDP1HDAC3CA12CA1 | |
| SCHEMBL8983164 | 0.77 | ALDH1A1 (0.61) | ALDH1A1HDAC3CA12CA1IDO1 | |
| SCHEMBL1005988 | 0.77 | ALDH1A1 (0.61) | ALDH1A1HDAC3CA12CA1IDO1 | |
| SCHEMBL28362828 | 0.77 | ALDH1A1 (0.61) | ALDH1A1HDAC3CA12CA1IDO1 | |
| SCHEMBL6340484 | 0.77 | RAB9A (0.72) | ALDH1A1TDP1HDAC3CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020011147-A1 | RORγ ANTAGONIST AND APPLICATION THEREOF IN MEDICINE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2020-01-16 | — | — | WO | disclosed |