Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 9/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.46 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.38 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12560661 | 0.78 | HSD11B1 (0.51) | TRPV4HSD11B1PTGES2SLC22A12 | |
| SCHEMBL1020883 | 0.76 | TRPV4 (0.60) | TRPV4HSD11B1PTGES2SLC22A12 | |
| SCHEMBL29948706 | 0.76 | TRPV4 (0.60) | TRPV4HSD11B1PTGES2SLC22A12 | |
| SCHEMBL3665502 | 0.76 | RAD51 (0.47) | TRPV4CYP3A4PTGDR2DDR1 | |
| SCHEMBL18704533 | 0.76 | CA1 (0.43) | HSD11B1DDR1 | |
| SCHEMBL12129767 | 0.76 | HSD11B1 (0.42) | TRPV4HSD11B1CYP3A4KCNH2DDR1 | |
| SCHEMBL20744421 | 0.75 | PTGES2 (0.50) | TRPV4HSD11B1PTGES2CYP3A4KCNH2 | |
| SCHEMBL11871395 | 0.75 | HSD11B1 (0.51) | TRPV4HSD11B1CYP3A4KCNH2SLC22A12 | |
| SCHEMBL20488842 | 0.74 | HSD11B1 (0.48) | TRPV4HSD11B1SLC22A12 | |
| SCHEMBL21773502 | 0.74 | HSD11B1 (0.48) | TRPV4HSD11B1SLC22A12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018157190-A9 | HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF | PHARMAXIS LTD. (AU) | 2018-10-25 | — | — | WO | disclosed |
| WO-2018157190-A1 | HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF | PHARMAXIS LTD. (AU) | 2018-09-07 | — | — | WO | disclosed |