Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL450584 | 0.87 | ESR1 (0.52) | ALDH1A1CA12CA9ESR1HPGD | |
| SCHEMBL378351 | 0.85 | ESR1 (0.50) | ALDH1A1CA12CA9ESR1HPGD | |
| SCHEMBL28182966 | 0.85 | ESR1 (0.50) | ALDH1A1CA12CA9ESR1HPGD | |
| SCHEMBL415688 | 0.85 | ESR1 (0.50) | ALDH1A1CA12CA9ESR1HPGD | |
| SCHEMBL11308673 | 0.85 | ESR1 (0.50) | ALDH1A1CA12CA9ESR1HPGD | |
| SCHEMBL11322994 | 0.85 | ESR1 (0.50) | ALDH1A1CA12CA9ESR1HPGD | |
| Water SCHEMBL28244755 | 0.83 | ESR1 (0.48) | ALDH1A1CA12CA9ESR1HPGD | |
| SCHEMBL5689099 | 0.82 | C5AR1 (0.42) | ALDH1A1CA12CA9MAPTMCOLN3 | |
| SCHEMBL9078050 | 0.82 | ESR1 (0.63) | CA12CA9ESR1PKMCES2 | |
| SCHEMBL8824231 | 0.80 | ALDH1A1 (0.54) | ALDH1A1ESR1MAPTCYP2C19PKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1090962-B1 | Dye mixtures of fiber-reactive azo dyes and use thereof for dyeing material containing hydroxy- and/or carboxamido groups | DYSTAR TEXTILFARBEN GMBH & CO (DE) | 2003-05-14 | — | — | EP | disclosed |
| EP-1090962-A2 | Dye mixtures of fiber-reactive azo dyes and use thereof for dyeing material containing hydroxy- and/or carboxamido groups | DyStar Textilfarben GmbH & Co. Deutschland KG (DE) | 2001-04-11 | — | — | EP | disclosed |