Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 4/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL8678311 | 0.81 | ACHE (0.58) | ACHEALDH1A1L3MBTL1HTTESR1 | |
| SCHEMBL8097450 | 0.81 | ACHE (0.58) | ACHEALDH1A1L3MBTL1HTTESR1 | |
| SCHEMBL22050689 | 0.79 | HTT (0.44) | ACHEALDH1A1HTTPOLBESR1 | |
| SCHEMBL20102181 | 0.75 | ACHE (0.71) | ACHEALDH1A1ESR1ESR2ADORA3 | |
| SCHEMBL7542751 | 0.74 | ACHE (0.64) | ACHEALDH1A1L3MBTL1POLBESR1 | |
| SCHEMBL1325018 | 0.73 | ESR1 (0.62) | ACHEALDH1A1L3MBTL1HTTESR1 | |
| SCHEMBL29459512 | 0.73 | ESR1 (0.62) | ACHEALDH1A1L3MBTL1HTTESR1 | |
| SCHEMBL8767280 | 0.72 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1HTTESR1ESR2 | |
| SCHEMBL5493886 | 0.72 | ACHE (0.40) | ACHEALDH1A1ESR1ESR2ADORA3 | |
| SCHEMBL7906100 | 0.72 | ACHE (0.40) | ACHEALDH1A1ESR1ESR2ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012019759-A2 | COMPOSITIONS FOR THE PRODUCTION OF POLYURETHANES WITH ADJUSTABLE GEL TIME | LONZA LTD (CH) | 2012-02-16 | — | — | WO | claimed |