Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | BRD2 | P25440 | 1/20 | 0.34 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | MET | P08581 | 1/20 | 0.30 |
| ▸ | DHODH | Q02127 | 1/20 | 0.30 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21389590 | 0.77 | BRD4 (0.61) | BRD4BRD2BRD3KDM4EMAPT | |
| SCHEMBL19090593 | 0.72 | BRD4 (0.34) | BRD4BRD2BRD3 | |
| SCHEMBL19090219 | 0.70 | BRD4 (0.52) | BRD4BRD2BRD3KDM4EALDH1A1 | |
| SCHEMBL19090465 | 0.70 | MEN1 (0.39) | KDM4ETDP1MAPTALDH1A1MEN1 | |
| SCHEMBL19090224 | 0.69 | MAPT (0.47) | KDM4EMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL19090309 | 0.69 | LMNA (0.40) | KDM4EMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL19090462 | 0.69 | P2RX3 (0.35) | KDM4EMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL19090232 | 0.68 | NPC1 (0.43) | BRD4KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL19090209 | 0.68 | APOBEC3G (0.47) | KDM4EMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL19090459 | 0.67 | MEN1 (0.49) | MAPTALDH1A1MEN1KMT2ACYP2C19 |
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 |