Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17194015 | 0.81 | CHRM1 (0.40) | EPHX1CHRNB2CHRNA4ALDH1A1MMP2 | |
| SCHEMBL11066352 | 0.77 | — | — | |
| SCHEMBL23834421 | 0.76 | EPHX1 (0.55) | EPHX1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL30703877 | 0.75 | — | — | |
| SCHEMBL27690018 | 0.75 | GAA (0.46) | EPHX1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL9698983 | 0.75 | EPHX1 (0.37) | EPHX1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL9475407 | 0.74 | CHRNB2 (0.48) | EPHX1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL21647593 | 0.73 | EPHX1 (0.39) | EPHX1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL4666925 | 0.73 | TSHR (0.39) | EPHX1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL293593 | 0.73 | ALDH1A1 (0.44) | EPHX1CHRNB2CHRNA4CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-20140024795-A1 | ALIPHATIC POLYCARBONATE POLYOLS CONTAINING SILYL GROUPS | NOVOMER, INC. (US) | 2014-01-23 | — | — | US | disclosed |