Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20021122 | 0.86 | KDM4E (0.52) | KDM4EMEN1KMT2ASMN1; SMN2PTGDR2 | |
| SCHEMBL3324004 | 0.82 | KDM4E (0.48) | KDM4ESMN1; SMN2PTGDR2ALDH1A1MAPT | |
| SCHEMBL20020801 | 0.80 | KDM4E (0.46) | KDM4ESMN1; SMN2PTGDR2 | |
| SCHEMBL3297610 | 0.79 | KDM4E (0.54) | KDM4EMEN1KMT2ASMN1; SMN2PTGDR2 | |
| SCHEMBL246129 | 0.79 | PSIP1 (0.42) | KDM4EMEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL3303954 | 0.78 | KDM4E (0.53) | KDM4EMEN1KMT2ASMN1; SMN2PTGDR2 | |
| SCHEMBL15182622 | 0.78 | MEN1 (0.38) | KDM4EMEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL20020750 | 0.78 | KDM4E (0.41) | KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL3326729 | 0.77 | ACHE (0.47) | KDM4EMEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL3323941 | 0.77 | KDM4E (0.51) | KDM4EMEN1KMT2ASMN1; SMN2PTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2588455-B1 | 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS | GILEAD SCIENCES INC (US) | 2018-04-04 | — | — | EP | disclosed |