Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.30 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14398057 | 0.77 | POLB (0.50) | KMT2AL3MBTL1POLBMAPK1ALDH1A1 | |
| SCHEMBL14397414 | 0.75 | KMT2A (0.34) | KMT2ATDP1L3MBTL1ESR1TP53 | |
| SCHEMBL14397443 | 0.75 | POLB (0.34) | KMT2ATDP1L3MBTL1TP53POLB | |
| SCHEMBL14398161 | 0.75 | PRKDC (0.33) | KMT2ATDP1L3MBTL1ESR1TP53 | |
| SCHEMBL14397491 | 0.75 | GPR35 (0.35) | KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL14397520 | 0.75 | CYP2C9 (0.34) | POLBKDM4E | |
| SCHEMBL8441952 | 0.74 | KEAP1 (0.38) | KMT2ATDP1L3MBTL1POLBALDH1A1 | |
| SCHEMBL11403524 | 0.73 | APP (0.36) | MAPK1ALDH1A1KDM4E | |
| SCHEMBL14398163 | 0.73 | KEAP1 (0.39) | KMT2APOLBALDH1A1KDM4EHSD17B10 | |
| SCHEMBL14397519 | 0.73 | CSNK2A1 (0.44) | KMT2AL3MBTL1TP53POLBALDH1A1 |
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-2007117180-A1 | AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF | 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) | 2007-10-18 | — | — | WO | disclosed |