Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CASP6 | P55212 | 1/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 9/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NT5E | P21589 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27447483 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2C9CYP2C19CASP6 | |
| SCHEMBL4961330 | 0.86 | PTGDR2 (0.48) | ALDH1A1HSD17B10CA2CA1MMP1 | |
| SCHEMBL10774587 | 0.84 | ALDH1A1 (0.47) | ALDH1A1HSD17B10CYP2C9CYP2C19CASP6 | |
| Sulfuric Acid SCHEMBL29558680 | 0.82 | ALDH1A1 (0.56) | ALDH1A1HSD17B10PRSS1TSHRKDM4E | |
| SCHEMBL1607305 | 0.82 | HSD17B10 (0.57) | ALDH1A1HSD17B10CYP2C9CYP2C19CASP6 | |
| Sulfuric Acid SCHEMBL142972 | 0.82 | ALDH1A1 (0.56) | ALDH1A1HSD17B10PRSS1TSHRKDM4E | |
| SCHEMBL11226971 | 0.81 | S1PR3 (0.45) | ALDH1A1HSD17B10CYP2C9CYP2C19CASP6 | |
| SCHEMBL29022400 | 0.79 | ALDH1A1 (0.49) | ALDH1A1HSD17B10CYP2C9CYP2C19CASP6 | |
| SCHEMBL25373215 | 0.78 | PTGDR2 (0.44) | ALDH1A1CA2CA1MMP1MMP2 | |
| SCHEMBL1607441 | 0.78 | ALDH1A1 (0.47) | ALDH1A1HSD17B10CYP2C9CYP2C19CASP6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4332938-A | Anthaquinone reactive dyestuffs, their preparation and their use for dyeing materials containing OH groups or amide groups | BAYER AKTIENGESELLSCHAFT (DE) | 1982-06-01 | — | — | US | disclosed |
| US-4325705-A | Anthraquinone reactive dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1982-04-20 | — | — | US | disclosed |
| EP-0012342-A1 | Anthraquinone reactive dyestuffs and their use in dyeing and printing materials that contain hydroxyl groups or amide groups | BAYER AG (DE) | 1980-06-25 | — | — | EP | disclosed |