Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 3/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 5/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | RGS4 | P49798 | 1/20 | 0.32 |
| ▸ | RGS8 | P57771 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19090465 | 0.90 | MEN1 (0.39) | P2RX3PDE5ASIRT2SIRT1SMN1; SMN2 | |
| SCHEMBL19090464 | 0.85 | P2RX3 (0.36) | P2RX3PDE5ASIRT2SIRT1SMN1; SMN2 | |
| SCHEMBL19090593 | 0.81 | BRD4 (0.34) | PDE5ATP53 | |
| SCHEMBL19090459 | 0.80 | MEN1 (0.49) | PDE5AMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL19090209 | 0.79 | APOBEC3G (0.47) | SMN1; SMN2GAAMAPTALDH1A1MEN1 | |
| SCHEMBL19090232 | 0.76 | NPC1 (0.43) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL19090224 | 0.75 | MAPT (0.47) | SMN1; SMN2GAAMAPTALDH1A1MEN1 | |
| SCHEMBL19090316 | 0.73 | KDM4E (0.34) | P2RX3GAAMAPTALDH1A1MEN1 | |
| SCHEMBL19090553 | 0.72 | SMN1; SMN2 (0.37) | SIRT2SIRT1SMN1; SMN2GAAMAPT | |
| SCHEMBL19090597 | 0.72 | ALDH1A1 (0.45) | P2RX3MAPTALDH1A1MEN1KMT2A |
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-2017114843-A1 | XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2017-07-06 | — | — | WO | disclosed |