Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | EYA2 | O00167 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 3/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL2153553 | 0.83 | TDP1 (0.39) | TDP1EYA2APPACEBLM | |
| SCHEMBL18073002 | 0.81 | TDP1 (0.37) | TDP1EYA2APPACEBLM | |
| SCHEMBL22755685 | 0.79 | — | — | |
| SCHEMBL27712995 | 0.76 | TDP1 (0.40) | TDP1EYA2APPACEBLM | |
| SCHEMBL17816490 | 0.75 | FFAR3 (0.36) | TDP1EYA2APPACEBLM | |
| SCHEMBL27564906 | 0.75 | PRSS1 (0.36) | TDP1EYA2APPACEBLM | |
| SCHEMBL12933034 | 0.71 | TDP1 (0.36) | TDP1EYA2APPACEBLM | |
| SCHEMBL19870666 | 0.71 | PAOX (0.31) | — | |
| SCHEMBL24312108 | 0.71 | CACNA2D1 (0.36) | TDP1EYA2APPACEBLM | |
| Acetamide SCHEMBL5491935 | 0.70 | TDP1 (0.56) | TDP1EYA2APPACEBLM |
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-2016176636-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX, INC. (US) | 2016-11-03 | — | — | WO | disclosed |