Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL9027170 | 0.85 | ALDH1A1 (0.65) | ALDH1A1KDM4EMAPTKMT2ATDP1 | |
| SCHEMBL10413551 | 0.83 | KDM4E (0.59) | ALDH1A1KDM4EMAPTKMT2ATDP1 | |
| SCHEMBL10413552 | 0.83 | KDM4E (0.59) | ALDH1A1KDM4EMAPTKMT2ATDP1 | |
| SCHEMBL20523573 | 0.82 | EGFR (0.62) | ALDH1A1KDM4ESLC16A1HPGD | |
| SCHEMBL4246049 | 0.82 | MCL1 (0.62) | ALDH1A1KDM4EMAPTKMT2ATDP1 | |
| SCHEMBL6927070 | 0.82 | MCL1 (0.62) | ALDH1A1KDM4EMAPTKMT2ATDP1 | |
| SCHEMBL4246045 | 0.82 | MCL1 (0.62) | ALDH1A1KDM4EMAPTKMT2ATDP1 | |
| SCHEMBL30856935 | 0.81 | MCL1 (0.66) | ALDH1A1KDM4EMAPTKMT2ATDP1 | |
| SCHEMBL1388796 | 0.81 | MCL1 (0.66) | ALDH1A1KDM4EMAPTKMT2ATDP1 | |
| SCHEMBL1388797 | 0.81 | MCL1 (0.66) | ALDH1A1KDM4EMAPTKMT2ATDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110357789-B | N-substituted acrylamide derivative as DHODH inhibitor and preparation and application thereof | 华东理工大学 | 2022-09-30 | — | — | CN | disclosed |
| WO-2019196714-A1 | N-SUBSTITUTED ACRYLAMIDE DERIVATIVE AS DHODH INHIBITOR, AND PREPARATION AND USE THEREOF | 华东理工大学 | 2019-10-17 | — | — | WO | disclosed |