Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | GSR | P00390 | 4/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | CKS1B | P61024 | 1/20 | 0.31 |
| ▸ | SKP1 | P63208 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9019599 | 1.00 | ALDH1A1 (0.43) | ALDH1A1BCHEGAALMNANPSR1 | |
| SCHEMBL9498023 | 0.88 | BCHE (0.35) | ALDH1A1BCHEPKMPDK1PDK2 | |
| SCHEMBL9497713 | 0.88 | BCHE (0.35) | ALDH1A1BCHEPKMPDK1PDK2 | |
| SCHEMBL9128523 | 0.88 | BCHE (0.35) | ALDH1A1BCHEPKMPDK1PDK2 | |
| SCHEMBL9019536 | 0.88 | BCHE (0.35) | ALDH1A1BCHEPKMPDK1PDK2 | |
| SCHEMBL9127415 | 0.85 | PDK1 (0.35) | ALDH1A1BCHEPKMPDK1PDK2 | |
| SCHEMBL9129110 | 0.84 | RORC (0.35) | ALDH1A1BCHEPKMPDK1PDK2 | |
| SCHEMBL9019509 | 0.84 | RORC (0.35) | ALDH1A1BCHEPKMPDK1PDK2 | |
| SCHEMBL6439306 | 0.81 | BCHE (0.38) | ALDH1A1BCHECA2GSRSMN1; SMN2 | |
| SCHEMBL6439317 | 0.81 | BCHE (0.38) | ALDH1A1BCHECA2GSRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5411989-A | Cardiovascular disorders | BOEHRINGER MANNHEIM, GMBH (DE) | 1995-05-02 | — | — | US | disclosed |