Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.64 |
| ▸ | HPGD | P15428 | 3/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | PKM | P14618 | 1/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.64 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.64 |
| ▸ | MC4R | P32245 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | PTPRF | P10586 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11601113 | 0.98 | ALDH1A1 (0.61) | ALDH1A1HPGDHSD17B10MAPTPKM | |
| SCHEMBL11604129 | 0.95 | ALDH1A1 (0.57) | ALDH1A1HPGDHSD17B10MAPTPKM | |
| SCHEMBL11604536 | 0.89 | ALDH1A1 (0.56) | ALDH1A1HPGDHSD17B10MAPTPKM | |
| SCHEMBL31331792 | 0.79 | ALDH1A1 (0.61) | ALDH1A1HPGDHSD17B10MAPTPKM | |
| SCHEMBL29373092 | 0.78 | ALDH1A1 (1.00) | ALDH1A1HPGDHSD17B10MAPTPKM | |
| SCHEMBL79946 | 0.78 | ALDH1A1 (1.00) | ALDH1A1HPGDHSD17B10MAPTPKM | |
| Hydrogen Sulfide SCHEMBL12520703 | 0.77 | ALDH1A1 (0.96) | ALDH1A1HPGDHSD17B10MAPTPKM | |
| Phthalic Acid SCHEMBL10456681 | 0.69 | ALDH1A1 (0.77) | ALDH1A1HPGDHSD17B10MAPTPKM | |
| SCHEMBL11749392 | 0.68 | ALDH1A1 (0.58) | ALDH1A1HPGDHSD17B10MAPTPKM | |
| SCHEMBL11604770 | 0.68 | PKM (0.46) | ALDH1A1HPGDHSD17B10MAPTPKM |
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-4080399-A | REACTING N-CHLOROTHIOPHTHALIMIDE WITH UNSATURATED COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DT) | 1978-03-21 | — | — | US | disclosed |