Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CLK1 | P49759 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 4/20 | 0.38 |
| ▸ | HTR2C | P28335 | 4/20 | 0.38 |
| ▸ | HTR2B | P41595 | 4/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30101345 | 0.85 | TSHR (0.44) | MAPTKMT2AMEN1LMNAADRA2A | |
| SCHEMBL22005465 | 0.80 | ROCK1 (0.51) | ROCK1ALDH1A1NOTUMMAPTLMNA | |
| SCHEMBL7075121 | 0.80 | ROCK1 (0.51) | ROCK1ALDH1A1NOTUMMAPTLMNA | |
| SCHEMBL12345961 | 0.77 | ROCK1 (0.49) | ROCK1ALDH1A1NOTUMMAPTKMT2A | |
| SCHEMBL27547324 | 0.77 | ACE (0.42) | — | |
| SCHEMBL13241995 | 0.74 | ROCK1 (0.47) | ROCK1ALDH1A1NOTUMMAPTLMNA | |
| SCHEMBL13061961 | 0.72 | ALDH1A1 (0.51) | ROCK1ALDH1A1NOTUMKMT2AMEN1 | |
| SCHEMBL11995386 | 0.71 | ROCK1 (0.50) | ROCK1ALDH1A1NOTUMMAPTLMNA | |
| SCHEMBL14733729 | 0.71 | ROCK1 (0.50) | ROCK1ALDH1A1NOTUMMAPTLMNA | |
| SCHEMBL15965528 | 0.71 | ROCK1 (0.50) | ROCK1ALDH1A1NOTUMMAPTLMNA |
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-115109099-A | Transition metal compound, catalyst composition comprising the same, and ligand thereof | LG化学株式会社 | 2022-09-27 | — | — | CN | disclosed |