Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | FASN | P49327 | 1/20 | 0.37 |
| ▸ | LAP3 | P28838 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | FABP1 | P07148 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18411356 | 0.87 | TSHR (0.50) | ALDH1A1ATMMAOBTSHRAR | |
| SCHEMBL28056296 | 0.83 | KAT6A (0.46) | ALDH1A1ATMTSHRGABRA1GABRG2 | |
| SCHEMBL11618139 | 0.82 | TSHR (0.52) | ALDH1A1ATMMAOBTSHRAR | |
| SCHEMBL995234 | 0.82 | MMP3 (0.46) | ALDH1A1MAOBTSHRLAP3AR | |
| SCHEMBL28056300 | 0.81 | ATM (0.42) | ALDH1A1ATMMAOBTSHRGABRA1 | |
| SCHEMBL28056371 | 0.80 | MAPK1 (0.45) | ALDH1A1MAOBTSHRMGLLMEN1 | |
| SCHEMBL26274413 | 0.78 | ABCG2 (0.50) | ALDH1A1TSHRGABRA1GABRG2GABRB3 | |
| SCHEMBL26592149 | 0.77 | ABCG2 (0.49) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL3422469 | 0.76 | TSHR (0.59) | MAOBTSHRIDO1GABRA1GABRG2 | |
| SCHEMBL11619311 | 0.75 | TSHR (0.48) | ALDH1A1ATMMAOBTSHRFASN |
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-105504186-A | Preparing method and application of 3,4-bi(4-cyanophenyl)-2,5-diphenyl phenyl grafted polysiloxane | UNIV SHANDONG | 2016-04-20 | — | — | CN | disclosed |