Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.43 |
| ▸ | CES1 | P23141 | 5/20 | 0.43 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | THRB | P10828 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | YWHAG | P61981 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL671650 | 0.83 | KDM4E (0.48) | CES2CES1MEN1KMT2AKDM4E | |
| SCHEMBL30739727 | 0.83 | KDM4E (0.48) | CES2CES1MEN1KMT2AKDM4E | |
| SCHEMBL477698 | 0.80 | CES2 (0.68) | CES2CES1DGAT1CA1CA2 | |
| SCHEMBL16006488 | 0.78 | CES2 (0.43) | CES2CES1DGAT1KDM4ECA1 | |
| SCHEMBL829400 | 0.77 | DGAT1 (0.45) | CES2CES1DGAT1CA1CA2 | |
| SCHEMBL28085635 | 0.77 | DGAT1 (0.45) | CES2CES1DGAT1CA1CA2 | |
| SCHEMBL17761393 | 0.77 | MAP2K1 (0.46) | CES2CES1DGAT1CA1CA2 | |
| SCHEMBL15994788 | 0.77 | DGAT1 (0.60) | CES2CES1DGAT1MEN1KMT2A | |
| SCHEMBL15490200 | 0.75 | IKBKB (0.38) | DGAT1MEN1KMT2AKDM4EHTT | |
| SCHEMBL4262805 | 0.75 | DGAT1 (0.38) | CES2CES1DGAT1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105461585-A | 3-aminobenzamide derivative as beta-lactam auxiliary antibiotic, preparation method and application | UNIV HONG KONG POLYTECHNIC | 2016-04-06 | — | — | CN | disclosed |