Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 7/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.36 |
| ▸ | AR | P10275 | 3/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11269727 | 0.79 | ESR1 (0.46) | ALDH1A1ALOX15HSD17B10NR1I2LMNA | |
| SCHEMBL111108 | 0.79 | PRKCI (0.46) | ALDH1A1ALOX15HSD17B10NR1I2LMNA | |
| SCHEMBL5619681 | 0.78 | ESR1 (0.36) | ALDH1A1ALOX15HSD17B10NR1I2LMNA | |
| Hydrochloric Acid SCHEMBL6256851 | 0.78 | ACHE (0.47) | ALDH1A1ALOX15HSD17B10NR1I2LMNA | |
| SCHEMBL1822446 | 0.72 | TSHR (0.52) | ALDH1A1ALOX15HSD17B10LMNAESR1 | |
| SCHEMBL30260613 | 0.68 | ST14 (0.39) | ALDH1A1LMNACYP2C9ESR1ESR2 | |
| SCHEMBL16055285 | 0.67 | — | — | |
| SCHEMBL11266195 | 0.66 | CA2 (0.50) | ALDH1A1ESR1ESR2PTGS2TDP1 | |
| SCHEMBL375159 | 0.65 | ESR1 (0.42) | ALDH1A1ALOX15HSD17B10CYP2C9ESR1 | |
| SCHEMBL10919477 | 0.64 | ALDH1A1 (0.59) | ALDH1A1ALOX15HSD17B10NR1I2LMNA |
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-1385468-A2 | ACTIVE INGREDIENT COMBINATIONS FOR HAIR-DYEING AGENTS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002087515-A2 | ACTIVE INGREDIENT COMBINATIONS FOR HAIR-DYEING AGENTS | HANS SCHWARZKOPF & HENKEL GMBH & CO. KG (DE) | 2002-11-07 | — | — | WO | disclosed |