Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.41 |
| ▸ | ALPL | P05186 | 2/20 | 0.37 |
| ▸ | EIF4E | P06730 | 1/20 | 0.37 |
| ▸ | MARS1 | P56192 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | FASN | P49327 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | KDM5A | P29375 | 1/20 | 0.34 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3655049 | 0.88 | TTR (0.42) | KMOALPLAKR1C3AKR1C2MAP2K4 | |
| SCHEMBL3653446 | 0.88 | MARS1 (0.49) | ALPLMARS1SRD5A2MAP2K4AURKA | |
| SCHEMBL3663117 | 0.86 | JAK2 (0.43) | ALPLAKR1C3AKR1C2MAP2K4GRM2 | |
| SCHEMBL3650607 | 0.85 | ALDH1A1 (0.39) | ALPLEIF4EMARS1SRD5A2MAP2K4 | |
| SCHEMBL3655915 | 0.84 | MAOA (0.43) | DHODHKDM5AKDM5B | |
| SCHEMBL3660881 | 0.83 | AXL (0.38) | ALPLEIF4EMARS1SRD5A2MAP2K4 | |
| SCHEMBL3652199 | 0.82 | CTRC (0.47) | ALPLMAP2K4AURKATPX2DHODH | |
| SCHEMBL3652824 | 0.81 | ALDH1A1 (0.44) | — | |
| SCHEMBL3650933 | 0.80 | DHODH (0.40) | KMOEIF4EMAP2K4DHODH | |
| SCHEMBL3655999 | 0.79 | ALPL (0.46) | KMOALPLKDM5AKDM5B |
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 4 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 |
| EP-2038264-A1 | TETRAZOLE-SUBSTITUTED ARYLAMIDES | F.HOFFMANN-LA ROCHE AG (CH) | 2009-03-25 | — | — | EP | disclosed |
| WO-2008000645-A1 | TETRAZOLE-SUBSTITUTED ARYLAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-03 | — | — | WO | disclosed |