Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | MAOB | P27338 | 5/20 | 0.56 |
| ▸ | MMP2 | P08253 | 1/20 | 0.55 |
| ▸ | MMP9 | P14780 | 1/20 | 0.55 |
| ▸ | MMP12 | P39900 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6903259 | 0.98 | ALDH1A1 (0.63) | ALDH1A1MAOBMMP2MMP9MMP12 | |
| SCHEMBL6709375 | 0.87 | ALDH1A1 (0.73) | ALDH1A1MAOBCYP3A4KMT2A | |
| SCHEMBL3763603 | 0.85 | IDO1 (0.58) | MAOBMMP2MMP9MMP12IDO1 | |
| SCHEMBL9685714 | 0.84 | ALDH1A1 (0.47) | ALDH1A1MAOBMMP2MMP9MMP12 | |
| SCHEMBL20267801 | 0.83 | IDO1 (0.60) | ALDH1A1MAOBMMP2MMP9MMP12 | |
| SCHEMBL9686081 | 0.83 | ALDH1A1 (0.55) | ALDH1A1CYP3A4LMNATACR1FFAR4 | |
| SCHEMBL5971176 | 0.83 | ALDH1A1 (0.55) | ALDH1A1CYP3A4LMNATACR1FFAR4 | |
| SCHEMBL11237868 | 0.82 | ALDH1A1 (0.61) | ALDH1A1MAOBMMP2MMP9MMP12 | |
| SCHEMBL7656159 | 0.82 | IDO1 (0.59) | MAOBMMP2MMP9MMP12IDO1 | |
| SCHEMBL2535662 | 0.82 | HSP90AA1 (0.59) | ALDH1A1MAOBMMP2MMP9MMP12 |
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-5078838-A | By electrochemical anodic oxidation of benzyl derivatives in the presence of an aliphatic alcohol | BASF AKTIENGESELLSCHAFT (DE) | 1992-01-07 | — | — | US | disclosed |