Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | STAT6 | P42226 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3166465 | 0.75 | PTGS1 (0.37) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL23863456 | 0.70 | — | — | |
| SCHEMBL5736042 | 0.68 | LMNA (0.39) | PTGS2TSHRMAPK1TP53LMNA | |
| SCHEMBL9147377 | 0.68 | AKR1B1 (0.32) | MAPK1NPC1RAB9A | |
| SCHEMBL3971345 | 0.63 | HPGD (0.43) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10454155 | 0.60 | PTGS1 (0.34) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL18204973 | 0.59 | — | — | |
| SCHEMBL31013390 | 0.58 | TDP1 (0.31) | — | |
| SCHEMBL335112 | 0.58 | — | — | |
| SCHEMBL1292326 | 0.56 | — | — |
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-105658700-B | For generating the Compounds and methods for of nylon 6 | 英派尔科技开发有限公司 | 2018-07-10 | — | — | CN | disclosed |
| CN-105658700-A | Compounds and methods for producing nylon 6 | 英派尔科技开发有限公司 | 2016-06-08 | — | — | CN | disclosed |