Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | AOC2 | O75106 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.44 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3055037 | 0.86 | ALDH1A1 (0.63) | ALDH1A1KDM4EAOC2HDAC8HDAC6 | |
| SCHEMBL77384 | 0.83 | ALDH1A1 (0.76) | ALDH1A1KDM4EAOC2HDAC8HDAC6 | |
| SCHEMBL21792030 | 0.83 | ALDH1A1 (0.59) | ALDH1A1KDM4EAOC2HDAC8HDAC6 | |
| SCHEMBL8856711 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KDM4EAOC2HDAC8HDAC6 | |
| SCHEMBL14491937 | 0.80 | SMYD3 (0.59) | ALDH1A1KDM4EGAAMEN1KMT2A | |
| SCHEMBL8722945 | 0.80 | MEN1 (0.59) | MEN1KMT2APARP1 | |
| SCHEMBL1904111 | 0.79 | ALDH1A1 (0.70) | ALDH1A1KDM4EAOC2L3MBTL1GAA | |
| Hydrochloric Acid SCHEMBL5183181 | 0.79 | SMYD3 (0.58) | ALDH1A1KDM4EGAAMEN1KMT2A | |
| SCHEMBL2039191 | 0.78 | AKR1C3 (0.58) | PKML3MBTL1MEN1KMT2ANPC1 | |
| SCHEMBL30727559 | 0.78 | AKR1C3 (0.58) | PKML3MBTL1MEN1KMT2ANPC1 |
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-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |