Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.62 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | TDP2 | O95551 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | CASP6 | P55212 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29813552 | 0.95 | ALDH1A1 (0.68) | ALDH1A1HPGDCYP3A4TSHRHSD17B10 | |
| SCHEMBL150437 | 0.95 | ALDH1A1 (0.68) | ALDH1A1HPGDCYP3A4TSHRHSD17B10 | |
| SCHEMBL1248415 | 0.84 | PARP1 (0.50) | ALDH1A1HPGDHSD17B10MEN1KMT2A | |
| SCHEMBL14876644 | 0.84 | ALDH1A1 (0.87) | ALDH1A1HPGDCYP3A4TSHRHSD17B10 | |
| SCHEMBL16107418 | 0.84 | ALDH1A1 (0.87) | ALDH1A1HPGDCYP3A4TSHRHSD17B10 | |
| SCHEMBL295976 | 0.80 | AXL (0.54) | ALDH1A1HPGDCYP3A4TSHRHSD17B10 | |
| SCHEMBL30065419 | 0.80 | AXL (0.54) | ALDH1A1HPGDCYP3A4TSHRHSD17B10 | |
| SCHEMBL9669303 | 0.79 | BACE1 (0.44) | ALDH1A1HPGDCYP3A4TSHRHSD17B10 | |
| SCHEMBL29365003 | 0.79 | ALDH1A1 (1.00) | ALDH1A1HPGDCYP3A4TSHRHSD17B10 | |
| SCHEMBL29375428 | 0.79 | PARP1 (0.54) | ALDH1A1HPGDCYP3A4TSHRHSD17B10 |
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-108976133-A | A kind of Triamine monomer of the structure containing phenanthrene ring and its preparation method and application | 湖南工业大学 | 2018-12-11 | — | — | CN | disclosed |