Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 6/20 | 0.36 |
| ▸ | CA1 | P00915 | 5/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18508 | 0.71 | — | — | |
| SCHEMBL28608411 | 0.69 | ACHE (0.50) | CYP2A6CES2CES1ALDH1A1CA2 | |
| SCHEMBL28603815 | 0.69 | CES2 (0.39) | CES2CES1ALDH1A1CA2CA1 | |
| SCHEMBL28599012 | 0.69 | LMNA (0.50) | CYP2A6CES2CES1ALDH1A1MAPK1 | |
| SCHEMBL9635143 | 0.68 | CYP2A6 (0.73) | CYP2A6CES2CES1ALDH1A1MAPK1 | |
| Ammonia Solution, Strong SCHEMBL28776475 | 0.67 | — | — | |
| SCHEMBL21518322 | 0.67 | — | — | |
| Methane SCHEMBL21489530 | 0.67 | CYP2A6 (0.89) | CYP2A6CES2CES1ALDH1A1MAPK1 | |
| SCHEMBL9496102 | 0.67 | CYP2A6 (0.89) | CYP2A6CES2CES1ALDH1A1MAPK1 | |
| SCHEMBL7675052 | 0.65 | CA1 (0.61) | CYP2A6CES2CES1ALDH1A1MAPK1 |
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-113200899-A | Aryl selenide compound and synthetic method thereof | 成都理工大学 | 2021-08-03 | — | — | CN | claimed |