Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11200333 | 1.00 | MAOB (0.42) | MAOBAGXTIDO1CYP1A2CYP2A6 | |
| SCHEMBL11400752 | 0.88 | MAOB (0.52) | MAOBAGXTIDO1CYP1A2CYP2A6 | |
| SCHEMBL27881548 | 0.82 | MAOB (0.42) | MAOBIDO1CYP2A6TAAR1ALDH1A1 | |
| SCHEMBL6683227 | 0.79 | MAOB (0.44) | MAOBAGXTIDO1CYP1A2CYP2A6 | |
| SCHEMBL28478078 | 0.79 | AGXT (0.43) | MAOBAGXTIDO1CYP1A2CYP2A6 | |
| SCHEMBL1051791 | 0.79 | MAOB (0.44) | MAOBAGXTIDO1CYP1A2CYP2A6 | |
| SCHEMBL9663380 | 0.78 | BCHE (0.50) | CYP1A2ACHEGAAMEN1ALDH1A1 | |
| SCHEMBL28760384 | 0.77 | MAOB (0.42) | MAOBIDO1CYP2A6TAAR1MEN1 | |
| SCHEMBL10805006 | 0.77 | KCNH2 (0.45) | MAOBAGXTIDO1CYP2A6TAAR1 | |
| SCHEMBL10805012 | 0.77 | KCNH2 (0.45) | MAOBAGXTIDO1CYP2A6TAAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4411912-A | Insecticidal isovaleric acid esters | ZOECON CORPORATION (US) | 1983-10-25 | — | — | US | disclosed |
| US-4243819-A | Substituted amino acids | ZOECON CORPORATION (US) | 1981-01-06 | — | — | US | disclosed |