Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL997205 | 0.77 | CA9 (0.40) | CYP3A4ALDH1A1HPGDHTTKMT2A | |
| SCHEMBL997840 | 0.72 | CA9 (0.46) | CYP3A4ALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL773047 | 0.72 | KDM4E (0.51) | CYP3A4ALDH1A1HPGDTDP1HTT | |
| SCHEMBL998211 | 0.72 | KDM4E (0.59) | CYP3A4ALDH1A1HPGDTDP1HTT | |
| SCHEMBL8058188 | 0.71 | KDM4E (0.40) | ALDH1A1HPGDTDP1KMT2AMEN1 | |
| SCHEMBL997261 | 0.70 | TUBB4A (0.48) | ALDH1A1HTTCA9KDM4ELMNA | |
| SCHEMBL8060815 | 0.69 | KDM4E (0.38) | ALDH1A1HPGDHTTKMT2AMEN1 | |
| SCHEMBL8472608 | 0.67 | HTT (0.62) | CYP3A4ALDH1A1HPGDTDP1HTT | |
| SCHEMBL8060764 | 0.66 | — | — | |
| SCHEMBL2584405 | 0.66 | CTNNB1 (0.41) | CYP3A4ALDH1A1HPGDTDP1HTT |
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 |