Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 3/20 | 0.32 |
| ▸ | NAAA | Q02083 | 3/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
| ▸ | GUSB | P08236 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28328709 | 0.80 | CYP1A2 (0.39) | EPHX1CYP1A2TDP1ALDH1A1CHRNB2 | |
| Water SCHEMBL28036000 | 0.79 | EPHX1 (0.35) | EPHX1CYP1A2TDP1ALDH1A1CHRNB2 | |
| SCHEMBL24925663 | 0.78 | TDP1 (0.40) | EPHX1CYP1A2TDP1ALDH1A1CHRNB2 | |
| SCHEMBL11168664 | 0.78 | EPHX1 (0.37) | EPHX1CYP1A2TDP1ALDH1A1CHRNB2 | |
| SCHEMBL31314377 | 0.78 | CYP1A2 (0.41) | EPHX1CYP1A2TDP1ALDH1A1CHRNB2 | |
| SCHEMBL28169087 | 0.77 | CYP1A2 (0.39) | EPHX1CYP1A2TDP1ALDH1A1CHRNB2 | |
| SCHEMBL29449300 | 0.76 | EPHX1 (0.36) | EPHX1CYP1A2TDP1ALDH1A1CHRNB2 | |
| SCHEMBL29449324 | 0.76 | EPHX1 (0.36) | EPHX1CYP1A2TDP1ALDH1A1CHRNB2 | |
| Water SCHEMBL28822891 | 0.76 | TDP1 (0.36) | EPHX1CYP1A2TDP1ALDH1A1NAAA | |
| SCHEMBL29449303 | 0.76 | EPHX1 (0.36) | EPHX1CYP1A2TDP1ALDH1A1CHRNB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0252736-A2 | Process for preparing fluorine-containing carboxylic acid ester | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1988-01-13 | — | — | EP | disclosed |