Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 3/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | ARG1 | P05089 | 3/20 | 0.32 |
| ▸ | ARG2 | P78540 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL7912635 | 0.95 | ARG1 (0.36) | CYP2C19MMEHDAC4ARG1ARG2 | |
| SCHEMBL7899652 | 0.85 | CYP2C19 (0.34) | CYP2C19MMEARG1ARG2 | |
| SCHEMBL28472473 | 0.69 | CYP2C19 (0.41) | CYP2C19MMEARG1ARG2 | |
| SCHEMBL11574764 | 0.68 | ARG1 (0.35) | CYP2C19ARG1ARG2SLC6A4SLC6A3 | |
| SCHEMBL7378420 | 0.67 | MME (0.35) | CYP2C19MMESLC6A4SLC6A3 | |
| SCHEMBL8643529 | 0.66 | GAA (0.45) | CYP2C19ARG1ARG2 | |
| SCHEMBL28875040 | 0.64 | TDP1 (0.44) | CYP2C19MMEARG1ARG2 | |
| SCHEMBL27476107 | 0.64 | CYP2C19 (0.36) | CYP2C19 | |
| SCHEMBL11443870 | 0.64 | CYP2C19 (0.41) | CYP2C19MME | |
| SCHEMBL27659634 | 0.64 | CYP2C19 (0.41) | CYP2C19MME |
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 |
|---|---|---|---|---|---|---|---|
| US-6207862-B1 | PRECURSORS ARE CHIRAL 4-HYDROXYCARBOXAMIDES, 4-HYDROXYHYDROXAMIC ACIDS, OR 4-HYDROXYHYDRAZIDES PRODUCED FROM GAMMA-LACTONES, WHICH IN TURN ARE DERIVED FROM 1,4-DIOLS BY STEREOSELECTIVE OXIDATION, | BIOCATALYTICS, INC. | 2001-03-27 | — | — | US | disclosed |
| US-5916786-A | Method for the production of chiral 1,3-aminoalcohols | BIOCATALYTICS, INC. (US) | 1999-06-29 | — | — | US | disclosed |