Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 3/20 | 0.35 |
| ▸ | ATR | Q13535 | 10/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | PI4KA | P42356 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.33 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.33 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL114987 | 0.77 | ALDH1A1 (0.33) | RETATRALDH1A1TP53CYP2C9 | |
| SCHEMBL5003555 | 0.75 | CYP2C19 (0.36) | RETALDH1A1TP53CYP2C9NFKB1 | |
| SCHEMBL25323015 | 0.72 | CYP2C19 (0.34) | RETALDH1A1TP53CYP2C9NFKB1 | |
| SCHEMBL26686143 | 0.72 | GAA (0.44) | RETCYP4F2CYP4A11ALDH1A1TP53 | |
| SCHEMBL19464040 | 0.71 | ALDH1A1 (0.46) | RETATRCYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL8291829 | 0.71 | HPGDS (0.45) | TP53NFKB1HSD17B10LMNA | |
| SCHEMBL457479 | 0.70 | CYP2C19 (0.33) | RETALDH1A1KMT2ALMNAPOLB | |
| SCHEMBL25322988 | 0.70 | RET (0.42) | RETALDH1A1TP53CYP2C9NFKB1 | |
| SCHEMBL11913135 | 0.70 | ABL1 (0.33) | ALDH1A1MEN1KMT2AGAACYP2C19 | |
| SCHEMBL3753149 | 0.69 | YTHDC1 (0.39) | ALDH1A1LMNAPOLB |
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-108884050-B | Tetrahydroisoquinoline derivatives | UCB生物制药私人有限公司 | 2022-07-05 | — | — | CN | disclosed |