Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | HTT | P42858 | 4/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.52 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.52 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14687147 | 0.80 | CA12 (0.53) | ALDH1A1HPGDTDP1GAAMEN1 | |
| SCHEMBL3003045 | 0.80 | ALDH1A1 (0.48) | ALDH1A1HTTHPGDHSP90AA1CACNA1B | |
| SCHEMBL4644173 | 0.78 | ALDH1A1 (0.43) | ALDH1A1HPGDTDP1MEN1KMT2A | |
| SCHEMBL11381594 | 0.77 | HTT (0.59) | ALDH1A1HTTHPGDHSP90AA1CACNA1B | |
| SCHEMBL16479353 | 0.76 | HTT (0.55) | ALDH1A1HTTHPGDHSP90AA1CACNA1B | |
| SCHEMBL16480487 | 0.76 | HDAC2 (0.46) | HTTHPGDMAPK1MEN1KMT2A | |
| SCHEMBL4636834 | 0.76 | GAA (0.46) | GAAMEN1KMT2ALMNAPOLB | |
| SCHEMBL11112763 | 0.75 | ESR1 (0.49) | HSP90AA1NPSR1TDP1MAPK1KMT2A | |
| SCHEMBL7431121 | 0.74 | HTT (0.57) | ALDH1A1HTTHPGDHSP90AA1CACNA1B | |
| SCHEMBL9893011 | 0.74 | PER2 (0.40) | TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108129372-A | A kind of method for preparing cyclic lactam derivative | 中国科学院大连化学物理研究所 | 2018-06-08 | — | — | CN | disclosed |