Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 17/20 | 0.35 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.32 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.32 |
| ▸ | AGTR2 | P50052 | 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 | |
|---|---|---|---|---|
| SCHEMBL19090334 | 0.79 | MEN1 (0.46) | KDM4EALDH1A1POLBGAASMN1; SMN2 | |
| SCHEMBL19090401 | 0.73 | MEN1 (0.46) | KDM4EPOLB | |
| SCHEMBL19090395 | 0.71 | ADAMTS5 (0.35) | KDM4EALDH1A1SMN1; SMN2P2RX3 | |
| SCHEMBL19090407 | 0.68 | P2RX3 (0.36) | KDM4EALDH1A1POLBGAARAB9A | |
| SCHEMBL19090596 | 0.66 | KMT2A (0.34) | KDM4EALDH1A1GAASMN1; SMN2P2RX3 | |
| SCHEMBL19090459 | 0.66 | MEN1 (0.49) | ALDH1A1POLB | |
| SCHEMBL19090462 | 0.66 | P2RX3 (0.35) | KDM4EALDH1A1GAARAB9ASMN1; SMN2 | |
| SCHEMBL19090394 | 0.65 | P2RX3 (0.34) | POLBSMN1; SMN2P2RX3 | |
| SCHEMBL19090593 | 0.63 | BRD4 (0.34) | — | |
| SCHEMBL19090316 | 0.60 | KDM4E (0.34) | KDM4EALDH1A1POLBGAAP2RX3 |
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 |