Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL5594550 | 0.85 | GSR (0.44) | GSRNPC1ADAM17ALDH1A1LMNA | |
| SCHEMBL28046603 | 0.81 | GSR (0.42) | GSRNPC1ADAM17ALDH1A1NPSR1 | |
| SCHEMBL14952759 | 0.79 | GSR (0.40) | GSRNPC1ADAM17ALDH1A1LMNA | |
| SCHEMBL5532878 | 0.79 | GSR (0.42) | GSRNPC1ADAM17ALDH1A1LMNA | |
| SCHEMBL11043086 | 0.76 | GSR (0.38) | GSRNPC1ADAM17ALDH1A1NPSR1 | |
| SCHEMBL28978165 | 0.76 | ALDH1A1 (0.43) | GSRALDH1A1NPSR1TDP1CYP1A2 | |
| SCHEMBL5682429 | 0.76 | ALDH1A1 (0.43) | GSRALDH1A1LMNANPSR1MAPT | |
| SCHEMBL28541789 | 0.76 | GSR (0.40) | GSRNPC1ADAM17ALDH1A1LMNA | |
| SCHEMBL1286813 | 0.76 | GSR (0.40) | GSRNPC1ADAM17ALDH1A1LMNA | |
| SCHEMBL266714 | 0.75 | LMNA (0.43) | GSRNPC1ADAM17ALDH1A1LMNA |
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-103864637-B | A kind of N-(β-4-nitro alkyl) preparation method of amides | XIHUA UNIVERSITY (CN) | 2015-12-02 | — | — | CN | disclosed |