Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL1664733 | 0.87 | EPHX1 (0.45) | EPHX1SMN1; SMN2NPC1TP53HPGD | |
| Heptane SCHEMBL241041 | 0.85 | EPHX1 (0.48) | EPHX1SMN1; SMN2NPC1TP53HPGD | |
| Propane SCHEMBL29260697 | 0.80 | — | — | |
| Butyl Alcohol SCHEMBL28856285 | 0.80 | ALDH1A1 (0.44) | EPHX1SMN1; SMN2NPC1TP53HPGD | |
| Bromide SCHEMBL28886830 | 0.78 | EPHX1 (0.34) | EPHX1SMN1; SMN2NPC1TP53HPGD | |
| 1-Pentanol SCHEMBL28201262 | 0.78 | SMN1; SMN2 (0.46) | EPHX1SMN1; SMN2NPC1TP53HPGD | |
| SCHEMBL16005388 | 0.78 | — | — | |
| SCHEMBL10067 | 0.78 | — | — | |
| SCHEMBL31673148 | 0.78 | — | — | |
| SCHEMBL2473867 | 0.78 | NOS2 (0.35) | — |
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-113121518-B | Preparation method of tedizolid impurity | 北京福元医药股份有限公司 | 2022-06-28 | — | — | CN | disclosed |
| CN-113121518-A | Preparation method of tedizolid impurity | 北京福元医药股份有限公司 | 2021-07-16 | — | — | CN | disclosed |