Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | GUSB | P08236 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6384780 | 0.81 | CYP1A2 (0.38) | CYP1A2CYP2D6HTTTSHRMAPT | |
| SCHEMBL9726830 | 0.79 | ABCG2 (0.49) | CYP1A2CYP2D6KDM4EABCG2GAA | |
| SCHEMBL25003855 | 0.78 | IGF1R (0.46) | CYP1A2MEN1KMT2ACYP2C19L3MBTL1 | |
| SCHEMBL7019929 | 0.78 | PARP14 (0.42) | CYP1A2CYP2D6HTTMAPTKDM4E | |
| SCHEMBL1624553 | 0.77 | PDE4B (0.40) | MAPTLMNAMEN1KMT2AL3MBTL1 | |
| SCHEMBL31673809 | 0.75 | LMNA (0.73) | HTTTSHRMAPTKDM4EGAA | |
| SCHEMBL15101603 | 0.75 | LMNA (0.73) | HTTTSHRMAPTKDM4EGAA | |
| SCHEMBL23889492 | 0.75 | NOS3 (0.39) | MAPTKDM4EGAAALDH1A1SMN1; SMN2 | |
| SCHEMBL24819908 | 0.73 | GAA (0.47) | CYP1A2CYP2D6HTTTSHRMAPT | |
| SCHEMBL20850314 | 0.72 | CYP1A2 (0.56) | CYP1A2CYP2D6HTTTSHRMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3495365-A1 | P2X7 MODULATORS | Janssen Pharmaceutica NV (BE) | 2019-06-12 | — | — | EP | disclosed |
| EP-3239151-A1 | P2X7 MODULATORS | Janssen Pharmaceutica NV (BE) | 2017-11-01 | — | — | EP | disclosed |
| EP-2970267-B1 | P2X7 MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2017-05-24 | — | — | EP | disclosed |