Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL996756 | 0.90 | ALDH1A1 (0.47) | ALDH1A1KDM4ECNR1CNR2SMN1; SMN2 | |
| SCHEMBL999447 | 0.84 | ALDH1A1 (0.53) | ALDH1A1KDM4ECNR1CNR2SMN1; SMN2 | |
| SCHEMBL997608 | 0.83 | KDM4E (0.55) | ALDH1A1KDM4ESMN1; SMN2GAAPOLB | |
| Hydrochloric Acid SCHEMBL996594 | 0.82 | TSHR (0.47) | KDM4ESMN1; SMN2GAAMAPTMEN1 | |
| SCHEMBL996636 | 0.81 | TUBB4A (0.70) | ALDH1A1KDM4ESMN1; SMN2MAPTTUBB4A | |
| SCHEMBL996634 | 0.81 | TUBB4A (0.70) | ALDH1A1KDM4ESMN1; SMN2MAPTTUBB4A | |
| SCHEMBL997045 | 0.80 | TUBB4A (0.57) | ALDH1A1KDM4ESMN1; SMN2MAPTSYK | |
| SCHEMBL997043 | 0.80 | TUBB4A (0.57) | ALDH1A1KDM4ESMN1; SMN2MAPTSYK | |
| SCHEMBL996840 | 0.79 | TUBB4A (0.61) | ALDH1A1KDM4ESMN1; SMN2MAPTTUBB4A | |
| SCHEMBL996838 | 0.79 | TUBB4A (0.61) | ALDH1A1KDM4ESMN1; SMN2MAPTTUBB4A |
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-2011009826-A2 | NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY | ADAMED Sp.z o.o. (PL) | 2011-01-27 | — | — | WO | disclosed |