Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.34 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17454414 | 0.84 | RAB9A (0.37) | KMT2AMEN1ALKBH1ALDH1A1RAB9A | |
| SCHEMBL17437841 | 0.83 | ALDH1A1 (0.42) | KMT2AMEN1ALKBH1ALDH1A1PLA2G4A | |
| SCHEMBL17437905 | 0.83 | HPGD (0.42) | KMT2AALDH1A1RAB9ANPC1HTT | |
| SCHEMBL19675109 | 0.82 | L3MBTL1 (0.43) | HDAC10HDAC6PDE4APDE4DALDH1A1 | |
| SCHEMBL17452615 | 0.81 | EPHB3 (0.34) | ALKBH1PLA2G4AROCK2TSHRJAK2 | |
| SCHEMBL23889176 | 0.79 | P2RY12 (0.36) | ROCK2P2RY12 | |
| SCHEMBL19675358 | 0.79 | ROCK2 (0.44) | PLA2G4AROCK2 | |
| SCHEMBL24247821 | 0.78 | EGLN1 (0.36) | ALDH1A1ROCK2HTTLMNA | |
| SCHEMBL24247778 | 0.76 | ROCK2 (0.46) | ALDH1A1ROCK2LMNA | |
| SCHEMBL19997307 | 0.74 | MEN1 (0.43) | KMT2AMEN1ALDH1A1RAB9AROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3402790-B1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-10-06 | — | — | EP | disclosed |