Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL614717 | 0.85 | MEN1 (0.39) | THRBALDH1A1CYP3A4KEAP1NFE2L2 | |
| SCHEMBL9769283 | 0.85 | THRB (0.50) | THRBALDH1A1CYP3A4DPP4NR1H4 | |
| SCHEMBL16460187 | 0.79 | RORC (0.43) | ALDH1A1DPP4KEAP1NFE2L2KDM4E | |
| SCHEMBL4043412 | 0.79 | AKR1C4 (0.45) | ALDH1A1CYP3A4DPP4KEAP1NFE2L2 | |
| SCHEMBL31460347 | 0.79 | THRB (0.44) | THRBALDH1A1CYP3A4DPP4NR1H4 | |
| SCHEMBL792634 | 0.78 | NQO2 (0.44) | THRBALPLNR1H4POLBCA1 | |
| SCHEMBL791574 | 0.78 | TTR (0.54) | ALDH1A1DPP4CA1CA2CDK4 | |
| SCHEMBL8243818 | 0.78 | THRB (0.48) | THRBALDH1A1CYP3A4DPP4NR1H4 | |
| Ammonia Solution, Strong SCHEMBL31538137 | 0.76 | KDM4E (0.46) | THRBALDH1A1CYP3A4KEAP1NFE2L2 | |
| Ammonia Solution, Strong SCHEMBL31538196 | 0.76 | KDM4E (0.46) | THRBALDH1A1CYP3A4KEAP1NFE2L2 |
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 |