Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | BRD4 | O60885 | 3/20 | 0.44 |
| ▸ | BRD2 | P25440 | 1/20 | 0.44 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.44 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TPH1 | P17752 | 2/20 | 0.40 |
| ▸ | TPH2 | Q8IWU9 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21389515 | 0.94 | BRD4 (0.51) | TSHRALDH1A1MAPTHPGDHSD17B10 | |
| SCHEMBL21389535 | 0.88 | BRD4 (0.51) | TSHRALDH1A1MAPTHPGDHSD17B10 | |
| SCHEMBL19090314 | 0.83 | BRD4 (0.56) | TSHRALDH1A1MAPTHSD17B10SMN1; SMN2 | |
| SCHEMBL21389556 | 0.82 | BRD4 (0.54) | TSHRALDH1A1MAPTHSD17B10ALOX15 | |
| SCHEMBL19090329 | 0.81 | BRD4 (0.46) | TSHRALDH1A1MAPTALOX15SMN1; SMN2 | |
| SCHEMBL19090406 | 0.81 | ALDH1A1 (0.50) | TSHRALDH1A1MAPTHPGDHSD17B10 | |
| SCHEMBL23730964 | 0.80 | BRD4 (0.51) | ALDH1A1HPGDLMNABRD4BRD2 | |
| SCHEMBL19090470 | 0.80 | TSHR (0.44) | TSHRALDH1A1MAPTHPGDHSD17B10 | |
| SCHEMBL23731052 | 0.77 | BRD4 (0.57) | TSHRALDH1A1MAPTHPGDHSD17B10 | |
| SCHEMBL23731023 | 0.77 | BRD4 (0.55) | TSHRALDH1A1MAPTHPGDHSD17B10 |
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 |