Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | HPGD | P15428 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15428183 | 0.86 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4EMAPTLMNA | |
| SCHEMBL15427828 | 0.86 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4EMAPTLMNA | |
| SCHEMBL15428271 | 0.85 | ALDH1A1 (0.46) | ALDH1A1HPGDKDM4EMAPTLMNA | |
| SCHEMBL15428269 | 0.84 | ALDH1A1 (0.45) | ALDH1A1HPGDKDM4EMAPTLMNA | |
| SCHEMBL19669299 | 0.83 | ALDH1A1 (0.44) | ALDH1A1HPGDKDM4EMAPTLMNA | |
| SCHEMBL15428214 | 0.81 | KDM4E (0.32) | ALDH1A1KDM4EMAPTLMNAPOLB | |
| SCHEMBL15428118 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDKDM4EMAPTLMNA | |
| SCHEMBL15427826 | 0.80 | ALDH1A1 (0.42) | ALDH1A1HPGDKDM4EMAPTLMNA | |
| SCHEMBL17084925 | 0.79 | — | — | |
| SCHEMBL12072240 | 0.79 | ALDH1A1 (0.52) | ALDH1A1HPGDKDM4EMAPTLMNA |
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-9837622-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2017-12-05 | — | — | US | disclosed |