Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.69 |
| ▸ | TSHR | P16473 | 3/20 | 0.69 |
| ▸ | LMNA | P02545 | 1/20 | 0.69 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.69 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | KCNH3 | Q9ULD8 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL8844853 | 0.84 | ACHE (0.73) | ACHETSHRLMNAALOX12HPGD | |
| Toluene SCHEMBL8772848 | 0.83 | ACHE (0.85) | ACHETSHRLMNAALOX12HPGD | |
| Toluene SCHEMBL8938900 | 0.83 | ACHE (1.00) | ACHETSHRLMNAALOX12HPGD | |
| SCHEMBL12344964 | 0.83 | ACHE (1.00) | ACHETSHRLMNAALOX12HPGD | |
| Toluene SCHEMBL1 | 0.83 | — | — | |
| Toluene SCHEMBL175861 | 0.83 | ACHE (1.00) | ACHETSHRLMNAALOX12HPGD | |
| Toluene SCHEMBL4535818 | 0.83 | ACHE (1.00) | ACHETSHRLMNAALOX12HPGD | |
| SCHEMBL12344943 | 0.83 | ACHE (1.00) | ACHETSHRLMNAALOX12HPGD | |
| Toluene SCHEMBL4429042 | 0.83 | ACHE (1.00) | ACHETSHRLMNAALOX12HPGD | |
| Toluene SCHEMBL8824270 | 0.83 | ACHE (1.00) | ACHETSHRLMNAALOX12HPGD |
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-108097309-B | CO (carbon monoxide)2High-efficiency catalyst for synthesizing propylene carbonate with propylene oxide and preparation method thereof | 中国石油化工股份有限公司 | 2020-03-17 | — | — | CN | disclosed |