Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28678550 | 0.88 | ALDH1A1 (0.50) | ALDH1A1MAPK1L3MBTL1CA1CA2 | |
| SCHEMBL10789494 | 0.85 | ALDH1A1 (0.48) | ALDH1A1MAPK1L3MBTL1CA1CA2 | |
| SCHEMBL13603920 | 0.82 | ALDH1A1 (0.59) | ALDH1A1MAPK1L3MBTL1CA1CA2 | |
| SCHEMBL16995568 | 0.81 | CA1 (0.49) | ALDH1A1MAPK1L3MBTL1CA1CA2 | |
| SCHEMBL4533147 | 0.81 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1TDP1SMN1; SMN2 | |
| SCHEMBL25794082 | 0.79 | NR1I2 (0.42) | ALDH1A1SMN1; SMN2LMNAKMT2A | |
| SCHEMBL13603924 | 0.78 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1CA1CA2 | |
| SCHEMBL19678716 | 0.78 | ALDH1A1 (0.54) | ALDH1A1MAPK1L3MBTL1TDP1CYP3A4 | |
| SCHEMBL13603876 | 0.78 | ALDH1A1 (0.54) | ALDH1A1MAPK1L3MBTL1CA1CA2 | |
| SCHEMBL23051790 | 0.76 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1TDP1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4564673-A | 3-Cyano-5-nitrothiophene anilino monoazo dye for synthetic fibers | RESEARCH ASSOCIATION OF SYNTHETIC DYESTUFFS (JP) | 1986-01-14 | — | — | US | disclosed |
| EP-0109857-A1 | Monoazo dye for synthetic fibers | RESEARCH ASSOCIATION OF SYNTHETIC DYESTUFFS (JP) | 1984-05-30 | — | — | EP | disclosed |