Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 2/20 | 0.47 |
| ▸ | MMP1 | P03956 | 2/20 | 0.47 |
| ▸ | MMP2 | P08253 | 2/20 | 0.47 |
| ▸ | MMP3 | P08254 | 2/20 | 0.47 |
| ▸ | MMP7 | P09237 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL28416149 | 0.99 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2EPHX2NPC1RAB9A | |
| SCHEMBL28522679 | 0.89 | SMN1; SMN2 (0.64) | ALDH1A1SMN1; SMN2EPHX2NPC1RAB9A | |
| SCHEMBL28507028 | 0.88 | TSHR (0.51) | SMN1; SMN2NPC1RAB9AEPHX1TSHR | |
| SCHEMBL28650015 | 0.87 | TSHR (0.49) | SMN1; SMN2NPC1RAB9AEPHX1TSHR | |
| SCHEMBL28415275 | 0.86 | TSHR (0.54) | ALDH1A1SMN1; SMN2EPHX2NPC1RAB9A | |
| SCHEMBL28658120 | 0.86 | NPC1 (0.51) | ALDH1A1EPHX2NPC1RAB9ATSHR | |
| SCHEMBL28419376 | 0.86 | TSHR (0.49) | ALDH1A1EPHX2NPC1RAB9AEPHX1 | |
| SCHEMBL28414080 | 0.86 | TSHR (0.49) | NPC1RAB9AEPHX1TSHRCASP3 | |
| SCHEMBL28891160 | 0.86 | TSHR (0.49) | ALDH1A1SMN1; SMN2EPHX2NPC1RAB9A | |
| SCHEMBL28891987 | 0.85 | TSHR (0.64) | ALDH1A1SMN1; SMN2EPHX2RAB9AEPHX1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113668004-B | Method for electrochemical synthesis of non-natural amino acid derivatives | 浙江工业大学 | 2023-05-23 | — | — | CN | disclosed |
| CN-114672524-A | Method for catalyzing unnatural amino acid derivative by using bifunctional heme protein | 吉林大学 | 2022-06-28 | — | — | CN | disclosed |
| CN-113668004-A | Method for electrochemically synthesizing non-natural amino acid derivatives | 浙江工业大学 | 2021-11-19 | — | — | CN | disclosed |
| CN-111269133-B | Method for synthesizing photoinduced anion catalyzed unnatural amino acid | 中国科学技术大学 | 2021-04-23 | — | — | CN | disclosed |
| CN-111269133-A | Method for synthesizing photoinduced anion catalyzed unnatural amino acid | 中国科学技术大学 | 2020-06-12 | — | — | CN | disclosed |