Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | PRCP | P42785 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28538482 | 0.81 | TSHR (0.40) | ALDH1A1KDM4EPKMHPGDALOX12 | |
| SCHEMBL28538480 | 0.81 | TSHR (0.40) | ALDH1A1KDM4EPKMHPGDALOX12 | |
| SCHEMBL5031878 | 0.78 | CA2 (0.38) | ALDH1A1KDM4EHPGDSLC18A3SIGMAR1 | |
| SCHEMBL22201133 | 0.71 | ALDH1A1 (0.39) | ALDH1A1KDM4EPKMHPGDALOX12 | |
| SCHEMBL6170474 | 0.71 | ALDH1A1 (0.39) | ALDH1A1KDM4EPKMHPGDALOX12 | |
| SCHEMBL22232773 | 0.68 | SLC18A3 (0.39) | SLC18A3SIGMAR1MEN1KMT2APRCP | |
| SCHEMBL18921517 | 0.68 | SLC18A3 (0.39) | SLC18A3SIGMAR1MEN1KMT2APRCP | |
| SCHEMBL1638748 | 0.68 | SLC18A3 (0.39) | SLC18A3SIGMAR1MEN1KMT2APRCP | |
| SCHEMBL6168920 | 0.68 | ALDH1A1 (0.37) | ALDH1A1KDM4EPKMHPGDALOX12 | |
| SCHEMBL5797442 | 0.67 | NOS1 (0.45) | ALDH1A1KDM4EPKMHPGDALOX12 |
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-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |