Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 5/20 | 0.75 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.72 |
| ▸ | MITF | O75030 | 1/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | HPGD | P15428 | 1/20 | 0.66 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.66 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.58 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.58 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.58 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.58 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.58 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL6827276 | 0.86 | PTGES (1.00) | PTGESALOX5MITFTDP1KDM4E | |
| SCHEMBL20953928 | 0.85 | SHBG (0.59) | PTGESALOX5MITFTDP1KDM4E | |
| SCHEMBL28278178 | 0.83 | PTGES (0.75) | PTGESALOX5MITFTDP1KDM4E | |
| SCHEMBL9462024 | 0.83 | PTGES (0.75) | PTGESALOX5MITFTDP1KDM4E | |
| SCHEMBL15568125 | 0.83 | PTGES (0.75) | PTGESALOX5MITFTDP1KDM4E | |
| SCHEMBL28045489 | 0.83 | MITF (1.00) | PTGESALOX5MITFTDP1KDM4E | |
| SCHEMBL17107860 | 0.82 | PTGES (0.68) | PTGESALOX5MITFTDP1KDM4E | |
| SCHEMBL19583424 | 0.82 | PTGES (0.78) | PTGESALOX5MITFTDP1KDM4E | |
| SCHEMBL6829555 | 0.81 | PTGES (0.67) | PTGESALOX5MITFTDP1KDM4E | |
| SCHEMBL28045490 | 0.81 | PTGES (0.72) | PTGESALOX5MITFTDP1KDM4E |
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-105218506-A | A kind of method being prepared Isocoumarin compounds by o-Halogen benzoic acids methyl esters and terminal alkyne | UNIV HUNAN | 2016-01-06 | — | — | CN | disclosed |