Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19090209 | 0.82 | APOBEC3G (0.47) | MAPTALDH1A1LMNAGAAHPGD | |
| SCHEMBL19090330 | 0.81 | ALDH1A1 (0.48) | MAPTALDH1A1LMNAGAAHPGD | |
| SCHEMBL19090470 | 0.81 | TSHR (0.44) | MAPTALDH1A1LMNAGAAHPGD | |
| SCHEMBL19090406 | 0.80 | ALDH1A1 (0.50) | MAPTALDH1A1LMNAGAAHPGD | |
| SCHEMBL19090224 | 0.75 | MAPT (0.47) | MAPTALDH1A1GAAHPGDKMT2A | |
| SCHEMBL21389551 | 0.75 | ALDH1A1 (0.58) | MAPTALDH1A1LMNAGAAHPGD | |
| SCHEMBL19090325 | 0.72 | ALDH1A1 (0.46) | MAPTALDH1A1LMNAGAAHPGD | |
| SCHEMBL21389525 | 0.71 | ALDH1A1 (0.46) | MAPTALDH1A1LMNAGAAHPGD | |
| SCHEMBL19090462 | 0.70 | P2RX3 (0.35) | MAPTALDH1A1LMNAGAAKMT2A | |
| SCHEMBL19090593 | 0.69 | 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 |