Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | PRKDC | P78527 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ERN1 | O75460 | 7/20 | 0.44 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.41 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14429392 | 0.85 | ALDH1A1 (0.47) | CYP3A4KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL16838212 | 0.78 | ALDH5A1 (0.59) | CYP3A4KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL1800032 | 0.78 | ERN1 (0.65) | CYP3A4KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL8577695 | 0.77 | CYP3A4 (0.47) | CYP3A4KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL40312 | 0.77 | MAPK1 (0.60) | CYP3A4KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL371170 | 0.77 | TSHR (0.62) | CYP3A4KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL274241 | 0.77 | ERN1 (0.50) | CYP3A4KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL3894725 | 0.77 | TDP1 (0.60) | CYP3A4KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL1014901 | 0.77 | BACE1 (0.63) | CYP3A4KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL564611 | 0.77 | ATM (0.60) | CYP3A4KDM4EALDH1A1MAPTALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012051659-A1 | VIRAL POLYMERASE INHIBITORS | BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) | 2012-04-26 | — | — | WO | disclosed |
| EP-2364976-A1 | S1P receptor modulating compounds and use thereof | EPIX Pharmaceuticals, Inc. (US) | 2011-09-14 | — | — | EP | disclosed |
| WO-2009135651-A1 | 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 | UNIVERSITÄT SAARLANDES (DE) | 2009-11-12 | — | — | WO | disclosed |