Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.73 |
| ▸ | POLB | P06746 | 2/20 | 0.73 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.72 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.70 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL30596611 | 0.98 | KDM4E (0.71) | KDM4EALDH1A1TDP1POLBCYP2A13 | |
| SCHEMBL2095163 | 0.85 | KDM4E (0.61) | KDM4EALDH1A1TDP1POLBCYP2A13 | |
| SCHEMBL26116810 | 0.85 | CYP2A13 (0.68) | KDM4EALDH1A1TDP1POLBCYP2A13 | |
| SCHEMBL2656580 | 0.84 | KDM4E (0.88) | KDM4EALDH1A1TDP1POLBCYP2A13 | |
| SCHEMBL593572 | 0.84 | CYP2A13 (0.66) | KDM4EALDH1A1TDP1POLBCYP2A13 | |
| SCHEMBL4109682 | 0.84 | CYP2A13 (1.00) | KDM4EALDH1A1TDP1POLBCYP2A13 | |
| SCHEMBL2094246 | 0.84 | CYP2A13 (0.66) | KDM4EALDH1A1TDP1POLBCYP2A13 | |
| SCHEMBL30596568 | 0.83 | MEN1 (0.60) | KDM4EALDH1A1TDP1POLBCYP2A13 | |
| Hydrochloric Acid SCHEMBL8948250 | 0.82 | CYP2A13 (0.64) | KDM4EALDH1A1TDP1POLBCYP2A13 | |
| SCHEMBL28156384 | 0.82 | SIGMAR1 (0.67) | KDM4EALDH1A1TDP1POLBCYP2A13 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022125524-A1 | COMPOUNDS FOR INHIBITING INOSITOL HEXAKISPHOSPHATE KINASE (IP6K) AND METHODS OF USE THEREOF | LIEBER INSTITUTE, INC. (US) | 2022-06-16 | — | — | WO | disclosed |
| CN-104892480-B | Method of preparing N-(2-hydroxy-1-naphthyl)(aryl)methyl-pyrrolidine-2-one derivatives via catalysis of di-sulfonate ionic liquid | 马鞍山市泰博化工科技有限公司 | 2017-05-24 | — | — | CN | disclosed |