Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | C1S | P09871 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL14434282 | 0.78 | ACHE (0.44) | ALDH1A1MAPK1TAAR1PARP1 | |
| SCHEMBL513922 | 0.77 | ALDH1A1 (0.44) | ALDH1A1MAPK1TAAR1KDM1AC1S | |
| SCHEMBL3667921 | 0.76 | ALDH1A1 (0.42) | ALDH1A1MAPK1TAAR1KDM1AC1S | |
| SCHEMBL18933061 | 0.74 | CYP2A6 (0.38) | ALDH1A1MAPK1TAAR1PYCR1LMNA | |
| SCHEMBL23943395 | 0.73 | ALDH1A1 (0.41) | ALDH1A1MAPK1TAAR1GABRA1GABRG2 | |
| SCHEMBL10427661 | 0.73 | OPRM1 (0.36) | ALDH1A1TAAR1LMNA | |
| SCHEMBL18773999 | 0.73 | TP53 (0.37) | — | |
| SCHEMBL20048776 | 0.72 | ALDH1A1 (0.39) | ALDH1A1MAPK1TAAR1KDM1AC1S | |
| SCHEMBL8281840 | 0.72 | ALDH1A1 (0.40) | ALDH1A1MAPK1TAAR1GABRA1GABRG2 | |
| SCHEMBL23513694 | 0.72 | CA12 (0.46) | ALDH1A1KDM4E |
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-2017136870-A9 | HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF | PHARMAXIS LTD. (AU) | 2018-02-15 | — | — | WO | disclosed |
| WO-2017136870-A1 | HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF | PHARMAXIS LTD. (AU) | 2017-08-17 | — | — | WO | disclosed |