Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL10005347 | 0.91 | ALDH1A1 (0.46) | KMT2ACYP1A2MAPTMEN1CYP2C9 | |
| SCHEMBL1129051 | 0.87 | KMT2A (0.40) | KMT2ACYP1A2MAPTMEN1CYP2C9 | |
| SCHEMBL4349193 | 0.85 | KMT2A (0.41) | KMT2ACYP1A2MAPTMEN1CYP2C9 | |
| SCHEMBL171627 | 0.85 | KDM4E (0.60) | KMT2ACYP1A2MAPTMEN1CYP2C9 | |
| SCHEMBL18862125 | 0.78 | ALDH1A1 (0.39) | KMT2ACYP1A2MAPTMEN1CYP2C9 | |
| SCHEMBL1171203 | 0.78 | NPC1 (0.51) | KMT2ACYP1A2MAPTMEN1CYP2C9 | |
| SCHEMBL12540 | 0.78 | ALDH1A1 (0.50) | KMT2ACYP1A2MAPTMEN1CYP2C9 | |
| SCHEMBL3269719 | 0.76 | ALDH1A1 (0.58) | KMT2ACYP1A2MAPTPOLBHPGD | |
| SCHEMBL11955227 | 0.75 | KMT2A (0.50) | KMT2ACYP1A2MAPTMEN1CYP2C9 | |
| SCHEMBL10844615 | 0.75 | KDM4E (0.41) | KMT2ACYP1A2MAPTMEN1CYP2C9 |
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-20070020418-A1 | Acetaldehyde scavenging by addition of active scavengers to bottle closures | HOWELL EARL E JR | 2007-01-25 | — | — | US | disclosed |