Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9408578 | 0.84 | SMN1; SMN2 (0.34) | SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2 | |
| SCHEMBL9408653 | 0.80 | SMN1; SMN2 (0.41) | SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2 | |
| SCHEMBL9408594 | 0.79 | SMN1; SMN2 (0.64) | SMN1; SMN2CHRNA1CHRNA3CHRNA7MAOB | |
| SCHEMBL10510895 | 0.79 | SMN1; SMN2 (0.64) | SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2 | |
| SCHEMBL10506559 | 0.79 | SMN1; SMN2 (0.46) | SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2 | |
| SCHEMBL9408579 | 0.76 | CHRNA1 (0.66) | SMN1; SMN2CHRNA1CHRNA3CHRNA7MAOB | |
| SCHEMBL9408660 | 0.75 | SMN1; SMN2 (0.41) | SMN1; SMN2CHRNA1CHRNA3CHRNA7MAOB | |
| SCHEMBL9408659 | 0.75 | SMN1; SMN2 (0.41) | SMN1; SMN2CHRNA1CHRNA3CHRNA7MAOB | |
| SCHEMBL10867211 | 0.74 | SMN1; SMN2 (0.38) | SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2 | |
| SCHEMBL9408581 | 0.74 | SMN1; SMN2 (0.47) | SMN1; SMN2CHRNA1CHRNA3CHRNA7MAOB |
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 |