Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8417399 | 0.81 | ESR1 (0.34) | TYRALDH1A1LMNANR1I2CYP2C9 | |
| SCHEMBL15914176 | 0.78 | ALOX5 (0.36) | TYRALDH1A1LMNANR1I2CYP2C9 | |
| SCHEMBL15437698 | 0.76 | ALDH1A1 (0.45) | ALDH1A1LMNAALOX15HTTHSD17B10 | |
| SCHEMBL15438040 | 0.76 | ALDH1A1 (0.45) | ALDH1A1LMNAALOX15HTTHSD17B10 | |
| SCHEMBL2130849 | 0.76 | ALDH1A1 (0.45) | ALDH1A1LMNAALOX15HTTHSD17B10 | |
| SCHEMBL2131539 | 0.76 | ALDH1A1 (0.45) | ALDH1A1LMNAALOX15HTTHSD17B10 | |
| SCHEMBL3931625 | 0.76 | ALDH1A1 (0.45) | ALDH1A1LMNAALOX15HTTHSD17B10 | |
| SCHEMBL28687919 | 0.75 | ALDH1A1 (0.47) | ALDH1A1NFE2L2HSD17B10ESR1ESR2 | |
| SCHEMBL26787131 | 0.75 | TRPA1 (0.38) | ALDH1A1 | |
| SCHEMBL18606647 | 0.75 | ALDH1A1 (0.47) | ALDH1A1NFE2L2HSD17B10ESR1ESR2 |
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-0167778-B1 | DERIVATIVES OF 1,2-NAPHTHOQUINONE DIAZIDE CONTAINING PERFLUORALKYL GROUPS, AND REPRODUCTION MATERIAL CONTAINING THESE COMPOUNDS | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-10-21 | — | — | EP | disclosed |
| EP-0167778-A1 | Derivatives of 1,2-naphthoquinone diazide containing perfluoralkyl groups, and reproduction material containing these compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-01-15 | — | — | EP | disclosed |