Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | PRNP | P04156 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | TACR3 | P29371 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28488696 | 0.87 | PRNP (0.50) | ALDH1A1PRNPRXFP1GAATACR3 | |
| SCHEMBL28488694 | 0.87 | PRNP (0.50) | ALDH1A1PRNPRXFP1GAATACR3 | |
| SCHEMBL21834845 | 0.77 | PRNP (0.51) | ALDH1A1PRNPRXFP1GAATACR3 | |
| SCHEMBL21834846 | 0.77 | PRNP (0.51) | ALDH1A1PRNPRXFP1GAATACR3 | |
| SCHEMBL2538873 | 0.76 | CYP1A2 (0.56) | ALDH1A1PRNPRXFP1GAACYP2C9 | |
| SCHEMBL30196588 | 0.76 | CYP1A2 (0.56) | ALDH1A1PRNPRXFP1GAACYP2C9 | |
| SCHEMBL2600753 | 0.75 | CYP1A2 (0.60) | ALDH1A1PRNPRXFP1GAASMN1; SMN2 | |
| SCHEMBL28880719 | 0.74 | NPC1 (0.60) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL25523684 | 0.73 | PRNP (0.47) | ALDH1A1PRNPRXFP1GAATACR3 | |
| SCHEMBL21848468 | 0.72 | BACE1 (0.58) | ALDH1A1PRNPRXFP1GAASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109134362-B | Method for introducing nitrogen heterocycle through decarboxylation of carboxylate with light-induced nonmetal catalytic activity | 中国科学技术大学 | 2020-08-25 | — | — | CN | disclosed |
| WO-2020063399-A1 | METHOD FOR LIGHT-INDUCED DECARBOXYLATION COUPLING OF ACTIVE CARBOXYLIC ACID ESTER UNDER NON-METAL CATALYSIS | 中国科学技术大学 | 2020-04-02 | — | — | WO | disclosed |
| WO-2020063399-A1 | METHOD FOR LIGHT-INDUCED DECARBOXYLATION COUPLING OF ACTIVE CARBOXYLIC ACID ESTER UNDER NON-METAL CATALYSIS | 中国科学技术大学 | 2020-04-02 | — | — | WO | disclosed |