Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 6/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.32 |
| ▸ | GSK3B | P49841 | 3/20 | 0.32 |
| ▸ | SRC | P12931 | 2/20 | 0.32 |
| ▸ | AURKC | Q9UQB9 | 2/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL4036878 | 0.69 | L3MBTL1 (0.37) | HTTKDM4ENPC1GAAHSD17B10 | |
| SCHEMBL2148867 | 0.64 | AURKA (0.47) | AURKANTRK1AURKBGSK3BSRC | |
| SCHEMBL30877258 | 0.61 | L3MBTL1 (0.39) | HTTKDM4ENPC1GAAHSD17B10 | |
| SCHEMBL9487284 | 0.59 | CYP3A4 (0.56) | CYP3A4TSHRMAPK1HTTKDM4E | |
| SCHEMBL5658100 | 0.58 | CYP3A4 (0.37) | CYP3A4TSHRMAPK1HTTNPC1 | |
| SCHEMBL15908507 | 0.58 | NPC1 (0.67) | KDM4ENPC1GAAHSD17B10AURKA | |
| SCHEMBL30822708 | 0.58 | AURKA (0.41) | HTTKDM4ENPC1GAAAURKA | |
| SCHEMBL10560991 | 0.57 | TSHR (0.54) | CYP3A4TSHRMAPK1HTTNPC1 | |
| SCHEMBL14044108 | 0.57 | PRMT5 (0.32) | CYP3A4KDM4ENPC1GAAHSD17B10 | |
| SCHEMBL5657480 | 0.57 | CDK8 (0.41) | CYP3A4TSHRMAPK1KDM4EAURKB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1899349-A1 | INTERMEDIATES USEFUL IN PREPARING CERTAIN PYRROLOTRIAZINE COMPOUNDS AND PROCESS FOR MAKING SUCH INTERMEDIATES | Brystol-Myers Squibb Company (US) | 2008-03-19 | — | — | EP | disclosed |
| WO-2007005709-A1 | INTERMEDIATES USEFUL IN PREPARING CERTAIN PYRROLOTRIAZINE COMPOUNDS AND PROCESS FOR MAKING SUCH INTERMEDIATES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-11 | — | — | WO | disclosed |