Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.47 |
| ▸ | FEN1 | P39748 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.45 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6704887 | 1.00 | PARP1 (0.52) | PARP1HTTALDH1A1GAAMAPT | |
| SCHEMBL6704885 | 1.00 | PARP1 (0.52) | PARP1HTTALDH1A1GAAMAPT | |
| SCHEMBL30586726 | 0.83 | PARP1 (0.49) | PARP1HTTALDH1A1GAAMAPT | |
| SCHEMBL8937297 | 0.81 | PARP1 (0.55) | PARP1HTTALDH1A1GAAMAPT | |
| SCHEMBL9407258 | 0.80 | PARP1 (0.50) | PARP1HTTALDH1A1GAAMAPT | |
| SCHEMBL9407260 | 0.80 | PARP1 (0.50) | PARP1HTTALDH1A1GAAMAPT | |
| SCHEMBL29085641 | 0.80 | PARP1 (0.53) | PARP1ALDH1A1MAPTHPGDMEN1 | |
| SCHEMBL28425343 | 0.80 | PARP1 (0.53) | PARP1ALDH1A1MAPTHPGDMEN1 | |
| SCHEMBL6339843 | 0.80 | CA12 (0.57) | PARP1ALDH1A1GAAMAPTSMN1; SMN2 | |
| SCHEMBL14034212 | 0.79 | PARP1 (0.49) | PARP1HTTALDH1A1GAAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110229152-B | 2-bit disubstituted indoline-3-ketone compound and asymmetric synthesis method thereof | 中国药科大学 | 2020-06-23 | — | — | CN | claimed |
| CN-110229152-B | 2-bit disubstituted indoline-3-ketone compound and asymmetric synthesis method thereof | 中国药科大学 | 2020-06-23 | — | — | CN | disclosed |
| EP-0569409-A1 | AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-11-18 | — | — | EP | disclosed |
| WO-1992012959-A1 | AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-08-06 | — | — | WO | disclosed |