Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | TPH1 | P17752 | 1/20 | 0.40 |
| ▸ | TPH2 | Q8IWU9 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19090224 | 0.84 | MAPT (0.47) | APOBEC3GKMT2AALDH1A1HPGDKDM4E | |
| SCHEMBL19090328 | 0.82 | MAPT (0.48) | KMT2AALDH1A1HPGDKDM4EGAA | |
| SCHEMBL19090462 | 0.79 | P2RX3 (0.35) | KMT2AALDH1A1KDM4EGAALMNA | |
| SCHEMBL19090593 | 0.79 | BRD4 (0.34) | TP53 | |
| SCHEMBL19090465 | 0.78 | MEN1 (0.39) | KMT2AALDH1A1KDM4EGAALMNA | |
| SCHEMBL19090325 | 0.76 | ALDH1A1 (0.46) | KMT2AALDH1A1HPGDKDM4EGAA | |
| SCHEMBL19090232 | 0.76 | NPC1 (0.43) | ALDH1A1HPGDKDM4ELMNARAB9A | |
| SCHEMBL19090464 | 0.74 | P2RX3 (0.36) | KMT2AALDH1A1HPGDKDM4EGAA | |
| SCHEMBL19090459 | 0.73 | MEN1 (0.49) | KMT2AALDH1A1MAPTMEN1TPH1 | |
| SCHEMBL19090407 | 0.71 | P2RX3 (0.36) | APOBEC3GKMT2AALDH1A1HPGDKDM4E |
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 |