Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30671962 | 0.96 | CHRM2 (0.37) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL10454970 | 0.81 | KMT2A (0.32) | KMT2ANPC1PKMRAB9ATSHR | |
| SCHEMBL548142 | 0.78 | KMT2A (0.40) | KMT2APOLBSMN1; SMN2 | |
| SCHEMBL27446996 | 0.77 | RAB9A (0.36) | KMT2APOLBNPC1PKMRAB9A | |
| SCHEMBL6051721 | 0.76 | — | — | |
| SCHEMBL7475016 | 0.76 | HSP90AB1 (0.38) | KMT2APOLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7228617 | 0.76 | ALDH1A1 (0.43) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL12477263 | 0.73 | — | — | |
| SCHEMBL11776687 | 0.72 | TSHR (0.31) | TSHR | |
| SCHEMBL8566976 | 0.72 | ATR (0.34) | KMT2ANPC1RAB9ASMN1; SMN2MEN1 |
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-107973735-A | A kind of preparation method of N- ethyl-2-aminomethylpentazaneands | 江苏康恒化工有限公司 | 2018-05-01 | — | — | CN | claimed |