Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.47 |
| ▸ | BRD2 | P25440 | 1/20 | 0.42 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.42 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 5/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL19090232 | 0.76 | NPC1 (0.43) | BRD4KDM4ENPSR1LMNATP53 | |
| SCHEMBL19090593 | 0.74 | BRD4 (0.34) | BRD4BRD2BRD3TP53 | |
| SCHEMBL21389548 | 0.74 | BRD4 (0.84) | BRD4BRD2BRD3BRDTKDM4E | |
| SCHEMBL19090465 | 0.72 | MEN1 (0.39) | KDM4ENPSR1GAALMNATP53 | |
| SCHEMBL19090462 | 0.72 | P2RX3 (0.35) | KDM4ENPSR1GAALMNATP53 | |
| SCHEMBL19090209 | 0.70 | APOBEC3G (0.47) | KDM4EGAATHRBLMNATP53 | |
| SCHEMBL19090220 | 0.69 | BRD4 (0.90) | BRD4BRD2BRD3BRDTKDM4E | |
| SCHEMBL19090224 | 0.68 | MAPT (0.47) | KDM4ENPSR1GAATHRBPOLB | |
| SCHEMBL19090464 | 0.67 | P2RX3 (0.36) | KDM4EGAALMNATP53MAPT | |
| SCHEMBL19090316 | 0.66 | KDM4E (0.34) | KDM4ENPSR1GAATHRBPOLB |
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 |