Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10510895 | 0.82 | SMN1; SMN2 (0.64) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| SCHEMBL10867211 | 0.82 | SMN1; SMN2 (0.38) | SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2 | |
| SCHEMBL9408700 | 0.81 | KCNJ1 (0.42) | SMN1; SMN2ALDH1A1KMT2AL3MBTL1KCNH2 | |
| SCHEMBL9408588 | 0.80 | SMN1; SMN2 (0.42) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| SCHEMBL10506559 | 0.79 | SMN1; SMN2 (0.46) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| SCHEMBL10573632 | 0.76 | SMN1; SMN2 (0.36) | SMN1; SMN2CHRNA1CHRNA3CHRNA7 | |
| SCHEMBL9408578 | 0.76 | SMN1; SMN2 (0.34) | SMN1; SMN2CHRNA1CHRNA3CHRNA7CYP3A4 | |
| SCHEMBL4101769 | 0.73 | DDB1 (0.46) | ALDH1A1MAPTKMT2AMEN1CYP2D6 | |
| SCHEMBL12373561 | 0.72 | SMN1; SMN2 (0.67) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| SCHEMBL1866150 | 0.72 | SMN1; SMN2 (0.67) | 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 |
|---|---|---|---|---|---|---|---|
| EP-0623601-A1 | N-(3-Fluorobenzyl)heterocyclic derivatives and their use as pesticides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1994-11-09 | — | — | EP | disclosed |