Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.45 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.45 |
| ▸ | WNT3A | P56704 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1363970 | 0.81 | DYRK3 (0.54) | ROCK2GRIN2BCTNNB1WNT3ANOS1 | |
| SCHEMBL3497213 | 0.76 | TRPA1 (0.59) | ROCK2CTNNB1WNT3AMAOBNOS1 | |
| SCHEMBL30074251 | 0.76 | ROCK2 (0.50) | ROCK2GRIN2BCTNNB1WNT3AMAOB | |
| SCHEMBL29520764 | 0.75 | TRPA1 (0.54) | ROCK2MAOBNOS1RAB9AROCK1 | |
| SCHEMBL27771848 | 0.75 | GRIN2B (0.49) | ROCK2GRIN2BCTNNB1WNT3AMAOB | |
| SCHEMBL12181364 | 0.75 | NOS1 (0.46) | ROCK2GRIN2BCTNNB1WNT3AMAOB | |
| SCHEMBL28999426 | 0.72 | GSK3B (0.64) | ROCK2MAOBNOS1RAB9AROCK1 | |
| SCHEMBL27750996 | 0.72 | NOS1 (0.50) | ROCK2GRIN2BCTNNB1WNT3AMAOB | |
| SCHEMBL84462 | 0.72 | TRPA1 (0.54) | ROCK2MAOBNOS1RAB9AROCK1 | |
| SCHEMBL30141452 | 0.71 | ROCK2 (0.42) | ROCK2CTNNB1WNT3AMAOBNOS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115916771-A | Multi-target antitumor compound and preparation method and application thereof | 浙江华海药业股份有限公司 | 2023-04-04 | — | — | CN | disclosed |
| WO-2021197467-A1 | MULTI-TARGET ANTI-TUMOR COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海华汇拓医药科技有限公司 | 2021-10-07 | — | — | WO | disclosed |