Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6924495 | 0.80 | ACHE (0.49) | ATMMAPTMAPK1RECQLNPSR1 | |
| SCHEMBL28266633 | 0.76 | TDP1 (0.56) | ATMDHODHTDP1L3MBTL1EPHX1 | |
| SCHEMBL5824150 | 0.76 | ALDH1A1 (0.49) | ATMTDP1L3MBTL1ALDH1A1CYP1A2 | |
| SCHEMBL17042189 | 0.74 | MEN1 (0.39) | ATMMAPTMAPK1RECQLNPSR1 | |
| SCHEMBL29372456 | 0.74 | MEN1 (0.39) | ATMMAPTMAPK1RECQLNPSR1 | |
| SCHEMBL18824869 | 0.73 | DHODH (0.38) | ATMDHODHPOLBATRGAA | |
| SCHEMBL5824154 | 0.73 | ALDH1A1 (0.49) | ATMTDP1L3MBTL1ALDH1A1CYP1A2 | |
| SCHEMBL28584218 | 0.71 | KDM4E (0.40) | ATMMAPTMAPK1RECQLNPSR1 | |
| SCHEMBL11546106 | 0.71 | MAPT (0.54) | MAPTMAPK1NPSR1DHODHTDP1 | |
| Formamide SCHEMBL21715187 | 0.70 | MEN1 (0.36) | MAPTMAPK1RECQLNPSR1DHODH |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004087669-A1 | NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF | TAISHO PHARMACEUTICAL CO. LTD. (JP) | 2004-10-14 | — | — | WO | disclosed |