Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | PTPRZ1 | P23471 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10026820 | 0.79 | ESR1 (0.48) | ALDH1A1LMNACCNE2CDK4CCND1 | |
| SCHEMBL6434819 | 0.78 | ALDH1A1 (0.54) | ALDH1A1LMNATSHRKDM4EMEN1 | |
| SCHEMBL3903614 | 0.78 | ADH1B (0.55) | ALDH1A1ABL1EPHX2NR1H4TSHR | |
| SCHEMBL7670360 | 0.76 | ESR1 (0.38) | ALDH1A1ABL1TSHRPTPN1PTPRZ1 | |
| SCHEMBL469386 | 0.76 | ALDH1A1 (0.72) | ALDH1A1LMNACCNE2CDK4CCND1 | |
| SCHEMBL23375946 | 0.76 | ALDH1A1 (0.52) | ALDH1A1LMNAKDM4EMEN1KMT2A | |
| SCHEMBL13437662 | 0.76 | PANK3 (0.33) | ABL1 | |
| SCHEMBL3560236 | 0.74 | ALDH1A1 (0.50) | ALDH1A1LMNAMEN1MAPTKMT2A | |
| SCHEMBL7533924 | 0.74 | ALDH1A1 (0.50) | ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL6664376 | 0.74 | ALDH1A1 (0.50) | ALDH1A1LMNATSHRMEN1KMT2A |
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-2022149617-A1 | COMPOUND LIBRARY | 中外製薬株式会社 | 2022-07-14 | — | — | WO | disclosed |