Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ASPH | Q12797 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 2/20 | 0.34 |
| ▸ | CFTR | P13569 | 2/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.32 |
| ▸ | GLRB | P48167 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL614717 | 0.82 | MEN1 (0.39) | POLBGAAKDM4EALDH1A1HPGD | |
| SCHEMBL9769182 | 0.80 | MAPT (0.39) | GLAPOLBGAATSHRKDM4E | |
| SCHEMBL30532294 | 0.79 | CES2 (0.43) | KDM4EALDH1A1HPGDHSD17B10ASPH | |
| SCHEMBL423246 | 0.79 | CES2 (0.43) | KDM4EALDH1A1HPGDHSD17B10ASPH | |
| SCHEMBL24566862 | 0.74 | KDM4E (0.43) | GLAPOLBGAATSHRKDM4E | |
| SCHEMBL22114832 | 0.74 | ASPH (0.40) | KIF11ALDH1A1HPGDASPHKMO | |
| SCHEMBL26121563 | 0.74 | KDM4E (0.33) | KIF11KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL30634617 | 0.74 | KDM4E (0.33) | KIF11KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9769361 | 0.73 | THRB (0.41) | POLBTSHRKDM4EALDH1A1HPGD | |
| Ammonia Solution, Strong SCHEMBL31538196 | 0.73 | KDM4E (0.46) | GLAPOLBGAAKDM4EALDH1A1 |
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-5068436-A | Hydrogenation of halonitrobenzenes without dehalogenation | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-11-26 | — | — | US | disclosed |