Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.43 |
| ▸ | LMNA | P02545 | 7/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 5/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19090330 | 0.88 | ALDH1A1 (0.48) | TSHRALDH1A1MAPTHPGDALOX15 | |
| SCHEMBL19090309 | 0.84 | LMNA (0.40) | TSHRALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL19090405 | 0.82 | HTT (0.42) | TSHRALDH1A1MAPTALOX15SMN1; SMN2 | |
| SCHEMBL19090328 | 0.81 | MAPT (0.48) | TSHRALDH1A1MAPTHPGDALOX15 | |
| SCHEMBL19090308 | 0.80 | TSHR (0.47) | TSHRALDH1A1MAPTHPGDALOX15 | |
| SCHEMBL21389515 | 0.74 | BRD4 (0.51) | TSHRALDH1A1MAPTHPGDALOX15 | |
| SCHEMBL19090318 | 0.72 | ELANE (0.41) | TSHRALDH1A1MAPTHPGDHSD17B10 | |
| SCHEMBL19090209 | 0.70 | APOBEC3G (0.47) | ALDH1A1MAPTHPGDALOX15HSD17B10 | |
| SCHEMBL19090462 | 0.70 | P2RX3 (0.35) | TSHRALDH1A1MAPTSMN1; SMN2LMNA | |
| SCHEMBL19090593 | 0.70 | BRD4 (0.34) | — |
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 |