Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | REN | P00797 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | OXTR | P30559 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8603532 | 0.79 | ADAMTS4 (0.44) | TSHRREN | |
| SCHEMBL9538431 | 0.78 | ESR1 (0.59) | ALDH1A1TSHRESR1KEAP1NFE2L2 | |
| SCHEMBL9538438 | 0.78 | ESR1 (0.59) | ALDH1A1TSHRESR1KEAP1NFE2L2 | |
| SCHEMBL8603277 | 0.76 | ALDH1A1 (0.55) | ALDH1A1 | |
| SCHEMBL8603733 | 0.74 | GAA (0.34) | ALDH1A1REN | |
| SCHEMBL7365220 | 0.73 | ESR1 (0.54) | ALDH1A1TSHRESR1KEAP1NFE2L2 | |
| Alanine SCHEMBL8603542 | 0.72 | KEAP1 (0.34) | ALDH1A1KEAP1NFE2L2REN | |
| SCHEMBL8653120 | 0.70 | ESR1 (0.61) | ALDH1A1TSHRESR1KEAP1NFE2L2 | |
| SCHEMBL10798490 | 0.69 | ESR1 (0.49) | ALDH1A1TSHRESR1KEAP1NFE2L2 | |
| SCHEMBL7558532 | 0.69 | L3MBTL1 (0.50) | ALDH1A1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5792869-A | REACTING PIPERAZINE DERIVATIVE WITH SULFONAMIDE DERIVATIVE OF OPTICALLY ACTIVE AMINO ACID, PRECIPITATING LESS SOLUBLE SALT, SEPARATING, DECOMPOSING TO DESIRED DIASTEREOMER | YAMAKAWA CHEMICAL INDUSTRY CO., LTD (JP) | 1998-08-11 | — | — | US | disclosed |