Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | FABP3 | P05413 | 2/20 | 0.39 |
| ▸ | FABP4 | P15090 | 2/20 | 0.39 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | FOLH1 | Q04609 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | ATIC | P31939 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8689614 | 0.80 | KDM4E (0.50) | POLBL3MBTL1KDM4ETSHREGFR | |
| SCHEMBL2724380 | 0.76 | KDM4E (0.54) | ALDH1A1POLBTHRBL3MBTL1KDM4E | |
| SCHEMBL27967615 | 0.75 | FOLH1 (0.62) | ALDH1A1POLBKDM4EFOLH1HSD17B10 | |
| SCHEMBL2732076 | 0.74 | FABP3 (0.50) | FABP3FABP4FABP5LMNAMEN1 | |
| SCHEMBL27967763 | 0.72 | PGR (0.52) | ALDH1A1 | |
| SCHEMBL20115109 | 0.70 | KDM4E (0.52) | ALDH1A1POLBL3MBTL1FABP3FABP4 | |
| SCHEMBL7111400 | 0.70 | EDNRA (0.56) | ALDH1A1KDM4EFOLH1HPGDLMNA | |
| SCHEMBL16009974 | 0.69 | POLB (0.48) | ALDH1A1POLBKDM4EHPGDHSD17B10 | |
| SCHEMBL13357151 | 0.67 | GPR3 (0.52) | ALDH1A1POLBL3MBTL1FABP3FABP4 | |
| SCHEMBL21311770 | 0.65 | ALDH1A1 (0.48) | ALDH1A1KDM4EHPGDHSD17B10MAPT |
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-2012059568-A1 | NOVEL WATER-SOLUBLE INDOLOBENZAZEPINE MOLECULES DEMONSTRATING ANTIMITOTIC, ANTIVASCULAR, AND ANTITUMOR ACTIVITIES IN VIVO | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2012-05-10 | — | — | WO | disclosed |