Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 3/20 | 0.45 |
| ▸ | DRD2 | P14416 | 3/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1709249 | 0.80 | DRD4 (0.60) | KDM4EALDH1A1DRD4DRD2DRD3 | |
| SCHEMBL1709242 | 0.78 | OPRL1 (0.47) | DRD2DRD3SCN9A | |
| SCHEMBL1709210 | 0.78 | HTR1A (0.62) | DRD2SCN9AHTR1AADRA1DADRA1A | |
| SCHEMBL10264596 | 0.71 | KDM4E (0.59) | KDM4EALDH1A1POLBTSHRDRD4 | |
| Hydrochloric Acid SCHEMBL10991450 | 0.70 | KDM4E (0.58) | KDM4EALDH1A1POLBTSHRDRD4 | |
| SCHEMBL1709241 | 0.69 | SCN9A (0.54) | KDM4EALDH1A1DRD2SCN9AMAPK1 | |
| SCHEMBL13698422 | 0.68 | KDM4E (0.55) | KDM4EALDH1A1POLBTSHRDRD4 | |
| SCHEMBL1286796 | 0.67 | USP2 (0.49) | ALDH1A1POLBSCN9ALMNAMAPK1 | |
| SCHEMBL13568797 | 0.67 | ALDH1A1 (0.71) | KDM4EALDH1A1POLBTSHRDRD4 | |
| SCHEMBL8044642 | 0.66 | KDM4E (0.65) | KDM4EALDH1A1POLBTSHRDRD4 |
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-2012047703-A2 | CYCLOPROPYL-SPIRO-PIPERIDINES USEFUL AS SODIUM CHANNEL BLOCKERS | SCHERING CORPORATION (US) | 2012-04-12 | — | — | WO | disclosed |