Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | NSD2 | O96028 | 1/20 | 0.54 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.54 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.54 |
| ▸ | CASP6 | P55212 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 5/20 | 0.49 |
| ▸ | CA2 | P00918 | 5/20 | 0.49 |
| ▸ | CA12 | O43570 | 4/20 | 0.49 |
| ▸ | CA9 | Q16790 | 4/20 | 0.49 |
| ▸ | VCAM1 | P19320 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL392626 | 0.84 | HPGD (0.62) | ALDH1A1HPGDTDP1GAANSD2 | |
| SCHEMBL51034 | 0.81 | CA12 (0.73) | ALDH1A1HPGDTDP1GAANSD2 | |
| SCHEMBL3201792 | 0.81 | ALDH1A1 (0.58) | ALDH1A1HPGDTDP1GAANSD2 | |
| SCHEMBL11199437 | 0.81 | ALDH1A1 (0.58) | ALDH1A1HPGDTDP1GAANSD2 | |
| SCHEMBL11201362 | 0.81 | ALDH1A1 (0.58) | ALDH1A1HPGDTDP1GAANSD2 | |
| SCHEMBL1055674 | 0.81 | CA12 (0.73) | ALDH1A1HPGDTDP1GAANSD2 | |
| SCHEMBL51033 | 0.81 | CA12 (0.73) | ALDH1A1HPGDTDP1GAANSD2 | |
| SCHEMBL2447568 | 0.79 | ALDH1A1 (0.57) | ALDH1A1HPGDTDP1GAANSD2 | |
| SCHEMBL1055670 | 0.79 | CA12 (0.71) | ALDH1A1HPGDTDP1GAANSD2 | |
| SCHEMBL1131324 | 0.79 | CASP6 (0.67) | ALDH1A1HPGDTDP1GAANSD2 |
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-4377688-A | Anthraquinone reactive dyestuffs, their preparation and their use for dyeing materials containing OH groups or amide groups | BAYER AKTIENGESELLSCHAFT (DE) | 1983-03-22 | — | — | US | disclosed |
| EP-0012411-A1 | Anthraquinone reactive dyestuffs and their use in dyeing materials that contain hydroxyl or amide groups | BAYER AG (DE) | 1980-06-25 | — | — | EP | disclosed |