Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | PTGES | O14684 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | CPA1 | P15085 | 1/20 | 0.43 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CETP | P11597 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 3/20 | 0.39 |
| ▸ | ACACA | Q13085 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 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 | |
|---|---|---|---|---|
| SCHEMBL6295222 | 0.85 | ALDH1A1 (0.46) | ALDH1A1RECQLSMN1; SMN2TSHRMMP8 | |
| SCHEMBL6296703 | 0.82 | ALDH1A1 (0.44) | ALDH1A1RECQLFFAR1LMNAMMP8 | |
| SCHEMBL7975807 | 0.80 | ALDH1A1 (0.74) | ALDH1A1RECQLFFAR1CETPTSHR | |
| SCHEMBL5365453 | 0.80 | ALDH1A1 (0.42) | ALDH1A1RECQLMMEACECPA1 | |
| SCHEMBL5361031 | 0.79 | MTNR1A (0.50) | ALDH1A1RECQLSMN1; SMN2 | |
| SCHEMBL589165 | 0.78 | ALDH1A1 (0.47) | ALDH1A1RECQLLMNASMN1; SMN2ACACB | |
| SCHEMBL5361416 | 0.78 | ALDH1A1 (0.43) | ALDH1A1RECQLMMP8 | |
| SCHEMBL5359741 | 0.78 | ALDH1A1 (0.43) | ALDH1A1RECQLLMNASMN1; SMN2ACACB | |
| SCHEMBL5366585 | 0.77 | ALDH1A1 (0.42) | ALDH1A1RECQLTSHRHSD17B10 | |
| SCHEMBL5365525 | 0.76 | ALDH1A1 (0.39) | ALDH1A1RECQL |
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-2001077095-A2 | DERIVATIVES OF ALPHA-MERCAPTOACETAMIDE | NOVARTIS AG (CH) | 2001-10-18 | — | — | WO | disclosed |