Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.59 |
| ▸ | FAAH | O00519 | 11/20 | 0.48 |
| ▸ | CES1 | P23141 | 10/20 | 0.48 |
| ▸ | CES2 | O00748 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Octane SCHEMBL7473071 | 1.00 | EPHX1 (0.59) | EPHX1FAAHCES1CES2MEN1 | |
| Decane SCHEMBL27619136 | 1.00 | EPHX1 (0.59) | EPHX1FAAHCES1CES2MEN1 | |
| Trifluoromethanesulfonic Acid SCHEMBL31222713 | 1.00 | EPHX1 (0.59) | EPHX1FAAHCES1CES2MEN1 | |
| Trifluoromethanesulfonic Acid SCHEMBL3129636 | 0.97 | EPHX1 (0.56) | EPHX1FAAHCES1CES2MEN1 | |
| Trifluoromethanesulfonic Acid SCHEMBL6544414 | 0.89 | EPHX1 (0.50) | EPHX1FAAHCES1CES2MEN1 | |
| Octadecylamine SCHEMBL6930485 | 0.89 | DNM1 (0.54) | EPHX1FAAHCES1CES2MEN1 | |
| Trifluoromethanesulfonic Acid SCHEMBL28345163 | 0.89 | EPHX1 (0.50) | EPHX1FAAHCES1CES2MEN1 | |
| Trifluoromethanesulfonic Acid SCHEMBL2857301 | 0.89 | SLC22A1 (0.54) | EPHX1CES1HSD17B10 | |
| Tetrahexylammonium SCHEMBL2862383 | 0.89 | SLC22A1 (0.54) | EPHX1CES1HSD17B10 | |
| Trifluoromethanesulfonic Acid SCHEMBL2550111 | 0.87 | EPHX1 (0.48) | EPHX1FAAHCES1CES2MEN1 |
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-5892035-A | FLUORINATING THE CORRESPONDING DIAZABICYCLOALKALINE COMPOUND | DAIKIN INDUSTRIES LTD. (JP) | 1999-04-06 | — | — | US | disclosed |