Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8008715 | 0.94 | TDP1 (0.49) | TDP1ALDH1A1HSD17B10MAPTKDM4E | |
| SCHEMBL8005875 | 0.89 | TDP1 (0.44) | TDP1ALDH1A1HSD17B10MAPTKDM4E | |
| SCHEMBL7997686 | 0.86 | KDM4E (0.46) | TDP1ALDH1A1HSD17B10MAPTKDM4E | |
| SCHEMBL7996748 | 0.86 | CA12 (0.51) | TDP1ALDH1A1HSD17B10MAPTKDM4E | |
| SCHEMBL7945903 | 0.85 | NOTUM (0.43) | TDP1ALDH1A1HSD17B10MAPTKDM4E | |
| SCHEMBL8005894 | 0.83 | SLC7A5 (0.43) | TDP1ALDH1A1HSD17B10MAPTKDM4E | |
| SCHEMBL17707305 | 0.82 | TDP1 (0.58) | TDP1ALDH1A1HSD17B10MAPTKDM4E | |
| SCHEMBL8008718 | 0.81 | KDM4E (0.46) | KDM4EHPGDMAPK1NPC1RAB9A | |
| SCHEMBL7950971 | 0.79 | EGFR (0.39) | TDP1ALDH1A1HSD17B10MAPTKDM4E | |
| SCHEMBL19628228 | 0.77 | HSD17B1 (0.54) | TDP1ALDH1A1HSD17B10MAPTKDM4E |
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-2234989-A1 | TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-10-06 | — | — | EP | disclosed |
| WO-2009077371-A1 | TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-25 | — | — | WO | disclosed |