Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.55 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.55 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9408635 | 0.92 | SMN1; SMN2 (0.67) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| SCHEMBL9408632 | 0.92 | SMN1; SMN2 (0.67) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| Pyridine SCHEMBL28145150 | 0.89 | SMN1; SMN2 (0.66) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| Pyridine SCHEMBL28145143 | 0.89 | SMN1; SMN2 (0.59) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| Pyridine SCHEMBL28144092 | 0.88 | SMN1; SMN2 (0.61) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| Pyridine SCHEMBL28144102 | 0.88 | SMN1; SMN2 (0.61) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| Pyridine SCHEMBL28145095 | 0.88 | SMN1; SMN2 (0.53) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| Pyridine SCHEMBL28321584 | 0.88 | SMN1; SMN2 (0.53) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| Pyridine SCHEMBL28321618 | 0.86 | SMN1; SMN2 (0.59) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| Pyridine SCHEMBL28144075 | 0.86 | SMN1; SMN2 (0.48) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 |
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-106966986-B | N- benzyl heterocyclic nitro ketene semiamine analog derivative and synthetic method and antitumor application thereof | 云南大学 | 2019-10-11 | — | — | CN | disclosed |