Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.63 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.63 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.63 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.63 |
| ▸ | KCNK3 | O14649 | 5/20 | 0.61 |
| ▸ | KCNK9 | Q9NPC2 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.58 |
| ▸ | MEN1 | O00255 | 5/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | JAK2 | O60674 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL13633219 | 0.84 | PTGS1 (0.60) | KCNK3KCNK9KMT2AMEN1MAPT | |
| SCHEMBL8374911 | 0.84 | HDAC1 (0.85) | HDAC1HDAC2HDAC8HDAC6KCNK3 | |
| SCHEMBL9157485 | 0.81 | PTPN1 (0.67) | HDAC1HDAC2HDAC8HDAC6KCNK3 | |
| SCHEMBL8778230 | 0.81 | PTPN1 (0.67) | KCNK3KCNK9KMT2AMEN1MAPT | |
| SCHEMBL18648481 | 0.81 | NQO2 (0.56) | HDAC1HDAC2HDAC8HDAC6KCNK3 | |
| SCHEMBL14715821 | 0.80 | KCNK3 (0.85) | HDAC1HDAC2HDAC8HDAC6KCNK3 | |
| SCHEMBL14130010 | 0.80 | KMT2A (0.81) | HDAC1HDAC2HDAC8HDAC6KCNK3 | |
| SCHEMBL13601060 | 0.79 | HDAC1 (0.77) | HDAC1HDAC2HDAC8HDAC6KCNK3 | |
| SCHEMBL11474161 | 0.79 | KMT2A (0.79) | HDAC1HDAC2HDAC8HDAC6KCNK3 | |
| SCHEMBL15998541 | 0.79 | HDAC1 (0.71) | HDAC1HDAC2HDAC8HDAC6KCNK3 |
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-103130709-B | 3-aminopropionic acid piperidine amide compound with HIV activity, synthetic method and application | 常州亚邦制药有限公司 | 2017-04-12 | — | — | CN | disclosed |