Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 2/20 | 0.47 |
| ▸ | F10 | P00742 | 1/20 | 0.46 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.44 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5256986 | 0.94 | SMYD3 (0.45) | CHRNA7F10SMYD3TAS1R3TAS1R1 | |
| SCHEMBL5258888 | 0.82 | SSTR3 (0.38) | F10TAS1R3TAS1R1KDM4EALDH1A1 | |
| SCHEMBL6834634 | 0.82 | CHRNA7 (0.48) | CHRNA7F10SMYD3MAPK11MAPK14 | |
| SCHEMBL5257234 | 0.82 | CHRNA7 (0.48) | CHRNA7F10SMYD3MAPK11MAPK14 | |
| SCHEMBL6834935 | 0.82 | CHRNA7 (0.48) | CHRNA7F10SMYD3MAPK11MAPK14 | |
| SCHEMBL5257229 | 0.79 | CHRNA7 (0.46) | CHRNA7F10SMYD3MAPK11MAPK14 | |
| SCHEMBL5255164 | 0.77 | KDM4E (0.44) | CHRNA7HTR3AKDM4EALDH1A1HPGD | |
| SCHEMBL5257320 | 0.77 | F10 (0.48) | F10SMYD3 | |
| SCHEMBL5255593 | 0.77 | DRD4 (0.36) | F10KDM4EALDH1A1HPGDCTSK | |
| SCHEMBL5254550 | 0.76 | MLLT1 (0.41) | F10SMYD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |