Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20988414 | 0.76 | MAPK1 (0.60) | TLR7LMNAMAPTMAPK1TP53 | |
| SCHEMBL28003170 | 0.76 | CYP19A1 (0.47) | TLR7LMNAMAPTMAPK1KIF11 | |
| SCHEMBL28715133 | 0.74 | KIF11 (0.63) | TLR7MAPTKIF11TP53KDM4E | |
| SCHEMBL3533598 | 0.72 | ALDH1A1 (0.65) | TLR7LMNAMAPTMAPK1KDM4E | |
| SCHEMBL3063332 | 0.71 | LMNA (0.64) | TLR7LMNAMAPTMAPK1TP53 | |
| SCHEMBL15896523 | 0.71 | MAPK1 (0.60) | TLR7LMNAMAPTMAPK1SMN1; SMN2 | |
| SCHEMBL21682855 | 0.70 | LTA4H (0.53) | TLR7LMNAMAPTMAPK1KIF11 | |
| SCHEMBL2546011 | 0.70 | ALDH1A1 (0.73) | TLR7LMNAMAPTMAPK1KDM4E | |
| SCHEMBL6912783 | 0.70 | KIF11 (0.66) | KIF11KDM4EALDH1A1KMT2A | |
| SCHEMBL21479710 | 0.69 | KDM4E (0.68) | LMNAKDM4ESMN1; SMN2ALDH1A1MEN1 |
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-111454282-A | Preparation of electron-deficient and electron-deficient conjugated extended isoindigo compounds | 中国科学院青岛生物能源与过程研究所 | 2020-07-28 | — | — | CN | disclosed |