Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | STAT1 | P42224 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29525203 | 0.90 | — | — | |
| SCHEMBL1622 | 0.90 | — | — | |
| SCHEMBL7026005 | 0.90 | — | — | |
| Fluoride SCHEMBL25376004 | 0.87 | CYP2A6 (0.57) | CYP2A6SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL164941 | 0.87 | — | — | |
| SCHEMBL4600807 | 0.87 | — | — | |
| SCHEMBL787631 | 0.81 | MAPK1 (0.55) | CYP2A6SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL1991704 | 0.81 | MAPK1 (0.55) | CYP2A6SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL12562840 | 0.81 | MAPK1 (0.55) | CYP2A6SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL9457196 | 0.81 | MAPK1 (0.55) | CYP2A6SMN1; SMN2MEN1KMT2AMAPT |
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-103402959-B | In water-bearing media, make the method for two acetal compounds | RELIANCE INDUSTRIES LTD. (IN) | 2016-05-18 | — | — | CN | disclosed |