Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2331231 | 0.83 | TSHR (0.47) | EPHX1GAAALDH1A1CYP1A2LMNA | |
| SCHEMBL2331221 | 0.83 | TSHR (0.47) | EPHX1GAAALDH1A1CYP1A2LMNA | |
| SCHEMBL2331227 | 0.83 | TSHR (0.47) | EPHX1GAAALDH1A1CYP1A2LMNA | |
| SCHEMBL19689020 | 0.72 | TP53 (0.68) | TP53EPHX1GAAALDH1A1CYP1A2 | |
| SCHEMBL22303088 | 0.71 | TDP1 (0.50) | GAAALDH1A1CYP1A2LMNASMN1; SMN2 | |
| SCHEMBL27917938 | 0.69 | ALDH1A1 (0.47) | TP53GAAALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL15133569 | 0.69 | MDM2 (0.57) | EPHX1GAAALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL12209203 | 0.69 | TP53 (0.53) | TP53EPHX1GAAALDH1A1CYP1A2 | |
| SCHEMBL19435788 | 0.69 | TP53 (0.53) | TP53EPHX1GAAALDH1A1CYP1A2 | |
| SCHEMBL1880827 | 0.69 | TSHR (0.47) | EPHX1GAAALDH1A1CYP1A2LMNA |
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-108300744-B | Synthesis method, kit and application of D-heterocyclic amino acid | 凯莱英医药集团（天津）股份有限公司 | 2020-07-17 | — | — | CN | disclosed |