Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27751211 | 0.87 | ALDH1A1 (0.50) | ALDH1A1MCL1TSHRKDM4ERAD52 | |
| SCHEMBL30159644 | 0.75 | ACHE (0.56) | ALDH1A1MCL1KDM4ERAD52MAPT | |
| SCHEMBL28655721 | 0.75 | ACHE (0.56) | ALDH1A1MCL1KDM4ERAD52MAPT | |
| SCHEMBL28118318 | 0.75 | CA12 (0.56) | ALDH1A1TSHRKDM4ERAD52MAPT | |
| SCHEMBL9040694 | 0.75 | ALDH1A1 (0.60) | ALDH1A1TSHRKDM4ETDP1RAD52 | |
| SCHEMBL30159718 | 0.75 | CA12 (0.56) | ALDH1A1TSHRKDM4ERAD52MAPT | |
| SCHEMBL12965287 | 0.74 | ERN1 (0.53) | ALDH1A1MCL1TSHRKDM4ETDP1 | |
| SCHEMBL6615697 | 0.74 | ERN1 (0.54) | ALDH1A1MCL1TSHRKDM4ETDP1 | |
| SCHEMBL19305505 | 0.74 | ERN1 (0.53) | ALDH1A1MCL1KDM4ETDP1MAPT | |
| SCHEMBL28118851 | 0.73 | RAD52 (0.67) | ALDH1A1KDM4ERAD52CYP3A4MEN1 |
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-103965091-B | The preparation of 2-(2,3,6,7-tetramethoxy-9-phenanthrene methyl) pyrroles | 江苏蓝丰生物化工股份有限公司 | 2016-12-28 | — | — | CN | disclosed |