Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SLC10A2 | Q12908 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL997261 | 0.83 | TUBB4A (0.48) | CA9ALDH1A1KDM4ELMNAHSD17B10 | |
| SCHEMBL997840 | 0.82 | CA9 (0.46) | CA9ALDH1A1KDM4ELMNAHSD17B10 | |
| SCHEMBL996387 | 0.77 | CYP3A4 (0.40) | CA9ALDH1A1KDM4ELMNAHSD17B10 | |
| SCHEMBL997563 | 0.77 | MAPT (0.54) | LMNARAB9ANPSR1MAPTNPC1 | |
| SCHEMBL996681 | 0.76 | TUBB4A (0.62) | KDM4ELMNACYP3A4RAB9AMAPT | |
| SCHEMBL995898 | 0.74 | HPGD (0.53) | CA9ALDH1A1KDM4ELMNAHSD17B10 | |
| SCHEMBL996699 | 0.74 | KDM4E (0.54) | CA9ALDH1A1KDM4ELMNAHSD17B10 | |
| SCHEMBL997187 | 0.72 | MAPT (0.54) | LMNARAB9ANPSR1MAPTNPC1 | |
| SCHEMBL20630769 | 0.71 | HTT (0.68) | CA9ALDH1A1KDM4ELMNAHSD17B10 | |
| SCHEMBL8058188 | 0.71 | KDM4E (0.40) | ALDH1A1KDM4ELMNAHSD17B10RAB9A |
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 |