Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 10/20 | 0.55 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | KIT | P10721 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | EDNRA | P25101 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6751658 | 0.77 | PTGDR2 (0.53) | PTGDR2BACE1KITKDM4E | |
| SCHEMBL6751309 | 0.73 | PTGDR2 (0.47) | PTGDR2BACE1KITALDH1A1MEN1 | |
| SCHEMBL2442871 | 0.71 | PTGDR2 (1.00) | PTGDR2EDNRA | |
| SCHEMBL1624962 | 0.69 | PTGER4 (0.71) | ALDH1A1MAPTCYP2C9NTRK1NTRK2 | |
| SCHEMBL2444077 | 0.69 | PTGDR2 (1.00) | PTGDR2 | |
| SCHEMBL1625482 | 0.67 | RECQL (0.51) | KDM4EALDH1A1MEN1KMT2AGAA | |
| SCHEMBL1624977 | 0.67 | NTRK1 (0.52) | KDM4EFAAHALDH1A1MEN1KMT2A | |
| SCHEMBL2449413 | 0.66 | PTGDR2 (0.57) | PTGDR2ALDH1A1 | |
| SCHEMBL12402570 | 0.65 | BACE1 (0.82) | BACE1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL3948783 | 0.65 | NTRK1 (0.48) | KDM4EALDH1A1MEN1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004058265-A1 | COMPOUND LIBRARIES OF 2,3-SUBSTITUTED PYRAZINE DERIVATIVES CAPABLE OF BINDING TO G-PROTEIN COUPLED RECEPTORS | BIOFOCUS PLC (GB) | 2004-07-15 | — | — | WO | disclosed |