Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL21389565 | 0.75 | KMT2A (0.56) | ALDH1A1HSD17B10NPSR1MEN1KMT2A | |
| SCHEMBL19090226 | 0.74 | KDM4E (0.45) | SMN1; SMN2MEN1KMT2AMAPTP2RX3 | |
| SCHEMBL19090459 | 0.73 | MEN1 (0.49) | ALDH1A1PDE5ANPSR1MEN1CYP2C19 | |
| SCHEMBL19090599 | 0.71 | KDM4E (0.37) | ALDH1A1SMN1; SMN2P2RX3KDM4E | |
| SCHEMBL19090462 | 0.69 | P2RX3 (0.35) | ALDH1A1CYP1A2LMNAPDE5ASMN1; SMN2 | |
| SCHEMBL19090465 | 0.69 | MEN1 (0.39) | ALDH1A1CYP1A2LMNAPDE5ASMN1; SMN2 | |
| SCHEMBL19090407 | 0.66 | P2RX3 (0.36) | ALDH1A1USP2NPSR1MEN1KMT2A | |
| SCHEMBL19090597 | 0.66 | ALDH1A1 (0.45) | ALDH1A1HSD17B10MEN1KMT2AMAPT | |
| SCHEMBL19090593 | 0.65 | BRD4 (0.34) | PDE5ATP53 | |
| SCHEMBL19090464 | 0.64 | P2RX3 (0.36) | ALDH1A1CYP1A2LMNAPDE5ASMN1; SMN2 |
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 |