Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 4/20 | 0.58 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.45 |
| ▸ | PRKDC | P78527 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | DRD5 | P21918 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3374256 | 0.86 | CXCR3 (0.42) | CYP2A13HTTKDM4EDRD4DRD5 | |
| SCHEMBL4109682 | 0.74 | CYP2A13 (1.00) | CYP2A13HTTKDM4EHIF1ACYP2C9 | |
| SCHEMBL9197772 | 0.74 | HTT (0.54) | CYP2A13HTTSLC2A1PRKDCADORA2A | |
| SCHEMBL21462386 | 0.72 | HRH3 (0.65) | CYP2A13HTTSLC2A1KDM4EHIF1A | |
| SCHEMBL9424160 | 0.72 | CYP2A13 (0.71) | CYP2A13HTTKDM4EHIF1ACYP2C9 | |
| SCHEMBL4243681 | 0.72 | CYP2A13 (0.71) | CYP2A13HTTKDM4EHIF1ACYP2C9 | |
| SCHEMBL8151479 | 0.71 | CYP2A13 (0.69) | CYP2A13HTTKDM4EHIF1ACYP2C9 | |
| SCHEMBL3344984 | 0.70 | NPC1 (0.49) | CYP2A13KDM4EDRD4DRD5RAB9A | |
| SCHEMBL3345662 | 0.70 | SLC2A1 (0.52) | CYP2A13HTTSLC2A1KDM4EADORA2A | |
| SCHEMBL21462427 | 0.69 | DRD2 (0.55) | HTTSLC2A1PRKDCKDM4EADORA2A |
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-2010045006-A1 | METHYLENE AMINES OF THIENO [2,3-D] PYRIMIDINE AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2010-04-22 | — | — | WO | disclosed |