Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.46 |
| ▸ | OGG1 | O15527 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL9433616 | 0.85 | MCL1 (0.60) | ALDH1A1MAPK1KDM4EL3MBTL1MCL1 | |
| SCHEMBL9433092 | 0.84 | MAPK1 (0.48) | ALDH1A1MAPK1KDM4EL3MBTL1MCL1 | |
| SCHEMBL15619321 | 0.78 | MAPK1 (0.56) | ALDH1A1MAPK1KDM4EL3MBTL1MCL1 | |
| SCHEMBL4343748 | 0.77 | ALDH1A1 (0.73) | ALDH1A1MAPK1KDM4EL3MBTL1MCL1 | |
| SCHEMBL9433738 | 0.77 | MAPK1 (0.51) | ALDH1A1MAPK1KDM4EL3MBTL1MCL1 | |
| SCHEMBL9434117 | 0.75 | ALDH1A1 (0.49) | ALDH1A1MAPK1KDM4EL3MBTL1MCL1 | |
| SCHEMBL4188335 | 0.68 | ALDH1A1 (0.46) | ALDH1A1MAPK1KDM4EL3MBTL1MCL1 | |
| Isonicotinonitrile SCHEMBL14975424 | 0.66 | ALDH1A1 (0.57) | ALDH1A1MAPK1KDM4EL3MBTL1MCL1 | |
| SCHEMBL18263998 | 0.65 | ALDH1A1 (0.76) | ALDH1A1MAPK1KDM4EL3MBTL1MCL1 | |
| SCHEMBL15619314 | 0.64 | MCL1 (0.71) | ALDH1A1MAPK1KDM4EL3MBTL1MCL1 |
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-5350748-A | 3-thio or amino substituted-benzo[b]thiophene-2-carboxamides and 3-oxygen, thio, or amino substituted-benzofuran-2-carboxamides as inhibitors of cell adhesion | WARNER-LAMBERT COMPANY (US) | 1994-09-27 | — | — | US | disclosed |