Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | TPH1 | P17752 | 14/20 | 0.39 |
| ▸ | TPH2 | Q8IWU9 | 14/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | BRD2 | P25440 | 1/20 | 0.39 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 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 | |
|---|---|---|---|---|
| SCHEMBL21389505 | 0.93 | BRD4 (0.46) | KMT2AMEN1TPH1TPH2BRD4 | |
| SCHEMBL21389583 | 0.78 | BRD4 (0.55) | KMT2AMEN1TPH1TPH2BRD4 | |
| SCHEMBL19090236 | 0.78 | LMNA (0.34) | — | |
| SCHEMBL23730961 | 0.73 | MEN1 (0.65) | KMT2AMEN1TPH1TPH2BRD4 | |
| SCHEMBL19090401 | 0.65 | MEN1 (0.46) | KMT2AMEN1TPH1TPH2NPSR1 | |
| SCHEMBL21389557 | 0.65 | MEN1 (0.47) | KMT2AMEN1TPH1TPH2BRD4 | |
| SCHEMBL19090400 | 0.65 | KMT2A (0.47) | KMT2AMEN1TPH1TPH2BRD4 | |
| SCHEMBL23731010 | 0.65 | MEN1 (0.56) | KMT2AMEN1TPH1TPH2BRD4 | |
| SCHEMBL21389579 | 0.64 | MEN1 (0.66) | KMT2AMEN1TPH1TPH2BRD4 | |
| SCHEMBL21389565 | 0.64 | KMT2A (0.56) | KMT2AMEN1TPH1TPH2BRD4 |
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 |