Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.45 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CD44 | P16070 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL167920 | 0.97 | — | — | |
| Bromide SCHEMBL27681143 | 0.94 | TP53 (0.52) | TP53CYP3A4HTR2ASLC6A4KCNH2 | |
| Ammonia Solution, Strong SCHEMBL10704776 | 0.94 | TP53 (0.52) | TP53CYP3A4HTR2ASLC6A4KCNH2 | |
| SCHEMBL9644481 | 0.87 | TP53 (0.46) | TP53CYP3A4HTR2ASLC6A4KCNH2 | |
| SCHEMBL7631814 | 0.84 | ALDH1A1 (0.45) | TP53CYP3A4HTR2ASLC6A4KCNH2 | |
| SCHEMBL11216101 | 0.84 | CYP2A6 (0.56) | TP53CYP3A4TSHRHSD17B10ALDH1A1 | |
| Phenol SCHEMBL28106636 | 0.80 | TSHR (0.45) | TP53CYP3A4TSHRHSD17B10ALDH1A1 | |
| Chlorocresol SCHEMBL9709045 | 0.77 | ESR2 (0.47) | TP53CYP3A4TSHRHSD17B10ALDH1A1 | |
| SCHEMBL91997 | 0.77 | — | — | |
| SCHEMBL31556280 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0605610-A1 | HIGH BARRIER PCTFE FILM | AlliedSignal Inc. (US) | 1994-07-13 | — | — | EP | disclosed |
| WO-1993006158-A1 | HIGH BARRIER PCTFE FILM | ALLIED-SIGNAL INC. (US) | 1993-04-01 | — | — | WO | disclosed |