Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 7/20 | 0.92 |
| ▸ | TSHR | P16473 | 2/20 | 0.92 |
| ▸ | LMNA | P02545 | 1/20 | 0.92 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.92 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
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 SCHEMBL3837578 | 1.00 | — | — | |
| Toluene SCHEMBL28195607 | 1.00 | ACHE (0.92) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL27524894 | 0.96 | ACHE (0.85) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL27492939 | 0.96 | — | — | |
| Toluene SCHEMBL27562355 | 0.96 | — | — | |
| Toluene SCHEMBL27667801 | 0.96 | ACHE (0.85) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL28257888 | 0.96 | — | — | |
| Toluene SCHEMBL1 | 0.96 | — | — | |
| Toluene SCHEMBL8938900 | 0.96 | ACHE (1.00) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL10976206 | 0.96 | ACHE (1.00) | ACHETSHRLMNAALOX12TDP1 |
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-108610227-B | Method for preparing bicyclic aromatic compound | 中国科学院大连化学物理研究所 | 2021-02-09 | — | — | CN | disclosed |