Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 6/20 | 0.32 |
| ▸ | PKM | P14618 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | G6PD | P11413 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL8660076 | 0.81 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CTSBPOLBHTT | |
| SCHEMBL7566874 | 0.74 | GRIA1 (0.42) | ALDH1A1CYP3A4CTSBPOLBHTT | |
| SCHEMBL27486507 | 0.73 | GRIA1 (0.34) | ALDH1A1CYP3A4CTSBPOLBHTT | |
| SCHEMBL27436503 | 0.71 | GRIA1 (0.33) | ALDH1A1CYP3A4CTSBPOLBPKM | |
| SCHEMBL7566388 | 0.71 | GRIA1 (0.49) | ALDH1A1HTTMAPTKMT2ALMNA | |
| SCHEMBL8640535 | 0.68 | TSHR (0.45) | ALDH1A1CYP3A4MAPTTDP1KMT2A | |
| SCHEMBL31248962 | 0.67 | HPGD (0.39) | ALDH1A1CYP3A4POLBMAPTTDP1 | |
| SCHEMBL19643097 | 0.66 | TDP1 (0.44) | ALDH1A1CYP3A4POLBMAPTTDP1 | |
| SCHEMBL7572511 | 0.65 | GRIA1 (0.59) | ALDH1A1KMT2AKDM4EMEN1 | |
| SCHEMBL28385538 | 0.65 | ALDH1A1 (0.49) | ALDH1A1CYP3A4POLBHTTMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1125818-C | Amino acid derivatives of substituted quinoxaline 2, 3 -dione derivativesa as glutamate receptor antagonists | WARNER LAMBERT CO (US) | 2003-10-29 | — | — | CN | disclosed |
| EP-0832074-A1 | AMINO ACID DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1998-04-01 | — | — | EP | disclosed |