Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.39 |
| ▸ | GAA | P10253 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1785393 | 0.86 | ALDH1A1 (0.43) | ALDH1A1GAATSHRLMNAMAPK1 | |
| SCHEMBL9511287 | 0.84 | ALDH1A1 (0.41) | ALDH1A1GAATSHRLMNAMAPK1 | |
| SCHEMBL8338846 | 0.81 | ALDH1A1 (0.39) | ALDH1A1GAATSHRLMNAMAPK1 | |
| SCHEMBL98076 | 0.79 | ALDH1A1 (0.59) | ALDH1A1GAATSHRLMNAMAPK1 | |
| SCHEMBL1783070 | 0.78 | HMGCR (0.38) | ALDH1A1GAATSHRLMNAMAPK1 | |
| SCHEMBL8926213 | 0.77 | CA2 (0.41) | ALDH1A1GAATSHRLMNAMAPK1 | |
| SCHEMBL10905424 | 0.77 | HIF1A (0.37) | ALDH1A1GAATSHRLMNAMAPK1 | |
| SCHEMBL1783230 | 0.77 | SHBG (0.41) | ALDH1A1GAATSHRLMNAMAPK1 | |
| Dimethylamine SCHEMBL7903511 | 0.74 | ALDH1A1 (0.53) | ALDH1A1GAATSHRLMNAMAPK1 | |
| SCHEMBL9514191 | 0.74 | SHBG (0.46) | ALDH1A1GAATSHRLMNAMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4091225-A | ALKYLATION, REDUCTION, TRANSESTERIFICATION | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1978-05-23 | — | — | US | claimed |
| US-4317933-A | ALKYLATING TO PRODUCE AN ALDEHYDE SUBSTITUTED PHENOL, ESTERS THEREOF | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1982-03-02 | — | — | US | disclosed |
| US-4091225-A | ALKYLATION, REDUCTION, TRANSESTERIFICATION | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1978-05-23 | — | — | US | disclosed |