Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.52 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 4/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | THPO | P40225 | 2/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL347463 | 0.91 | ALDH1A1 (0.61) | ALDH1A1ALDH3A1ALDH1A3LMNAMAPT | |
| SCHEMBL896520 | 0.91 | ALDH1A1 (0.61) | ALDH1A1ALDH3A1ALDH1A3EGFRERBB2 | |
| SCHEMBL7249091 | 0.82 | ALDH1A1 (0.71) | ALDH1A1ALDH3A1ALDH1A3EGFRERBB2 | |
| SCHEMBL3190534 | 0.82 | ALDH1A1 (0.71) | ALDH1A1ALDH3A1ALDH1A3LMNAMAPT | |
| Alanine SCHEMBL6664541 | 0.82 | ALDH1A1 (0.56) | ALDH1A1ALDH3A1ALDH1A3EGFRERBB2 | |
| SCHEMBL11089785 | 0.80 | ALDH1A1 (0.58) | ALDH1A1ALDH3A1ALDH1A3EGFRERBB2 | |
| SCHEMBL11699067 | 0.79 | ALDH1A1 (0.47) | ALDH1A1ALDH3A1ALDH1A3EGFRSMN1; SMN2 | |
| SCHEMBL11087044 | 0.79 | ALDH1A1 (0.47) | ALDH1A1ALDH3A1ALDH1A3EGFRERBB2 | |
| SCHEMBL8724096 | 0.78 | ALDH1A1 (0.50) | ALDH1A1ALDH3A1ALDH1A3EGFRERBB2 | |
| SCHEMBL5397293 | 0.77 | ALDH1A1 (0.53) | ALDH1A1ALDH3A1ALDH1A3EGFRERBB2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991003460-A1 | NEW ROUTE OF SYNTHESIS FOR TERTIARY ALKYL ESTERS | MANN JOHN (GB) | 1991-03-21 | — | — | WO | disclosed |