Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL28899563 | 0.90 | TSHR (0.35) | TSHRALDH1A1TDP1 | |
| SCHEMBL676514 | 0.83 | — | — | |
| SCHEMBL11833285 | 0.74 | — | — | |
| SCHEMBL26535341 | 0.71 | TSHR (0.45) | TSHRALDH1A1TDP1 | |
| SCHEMBL29156603 | 0.68 | TSHR (0.38) | TSHRALDH1A1TDP1 | |
| SCHEMBL12757715 | 0.68 | TSHR (0.38) | TSHRALDH1A1TDP1 | |
| SCHEMBL25729016 | 0.68 | TSHR (0.38) | TSHRALDH1A1TDP1 | |
| SCHEMBL2761827 | 0.68 | TSHR (0.38) | TSHRALDH1A1TDP1 | |
| SCHEMBL6648740 | 0.68 | TSHR (0.43) | TSHRALDH1A1TDP1 | |
| SCHEMBL21627337 | 0.67 | TSHR (0.32) | TSHR |
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-5942240-A | SYNERGISTIC ANTIMICROBIAL MIXTURE COMPRISING A TERMINALLY CYANO-SUBSTITUTED DIHALOGENATED ALKANE AND A HETEROCYCLIC POLY-HYDROXYLATED LOWER ALKYLAMIDE; FOR COSMETIC AND PHARMACEUTICAL FORMULATIONS, HOUSEHOLD AND INDUSTRIAL CLEANER | ISP CHEMICALS INC. (US) | 1999-08-24 | — | — | US | disclosed |
| WO-1999038381-A1 | ANTIMICROBIAL PRESERVATIVE COMPOSITION | ISP CHEMICALS INC. (US) | 1999-08-05 | — | — | WO | disclosed |