Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2720401 | 0.82 | CA1 (0.37) | HDAC1RAB9ASMN1; SMN2TAAR1CA1 | |
| SCHEMBL3813595 | 0.80 | ALDH1A1 (0.36) | HDAC1NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL19331322 | 0.79 | KMT2A (0.32) | NPC1RAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL2325213 | 0.77 | HDAC3 (0.42) | HDAC3HDAC1HDAC7HDAC2HDAC8 | |
| SCHEMBL31353592 | 0.76 | ALOX5 (0.42) | HDAC3HDAC1HDAC7HDAC2HDAC8 | |
| SCHEMBL2320836 | 0.76 | HDAC3 (0.41) | HDAC3HDAC1HDAC7HDAC2HDAC8 | |
| SCHEMBL1559685 | 0.75 | CA1 (0.33) | NPC1MAPTRAB9ASMN1; SMN2TAAR1 | |
| SCHEMBL29134779 | 0.75 | HDAC1 (0.35) | HDAC3HDAC1HDAC7HDAC2HDAC8 | |
| SCHEMBL19331014 | 0.74 | HDAC1 (0.48) | HDAC3HDAC1HDAC7HDAC2HDAC8 | |
| SCHEMBL15349227 | 0.70 | HDAC1 (0.53) | HDAC3HDAC1HDAC7HDAC2HDAC8 |
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-117120429-A | KHK inhibitor | 吉利德科学公司 | 2023-11-24 | — | — | CN | disclosed |