Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9417634 | 1.00 | SMN1; SMN2 (0.50) | SMN1; SMN2TSHRCASP1ALDH1A1TP53 | |
| SCHEMBL27521605 | 0.81 | ALDH1A1 (0.40) | TSHRALDH1A1TP53DCLRE1BMEN1 | |
| SCHEMBL4806273 | 0.80 | KDM4E (0.43) | ALDH1A1TP53MEN1KMT2AKDM4E | |
| SCHEMBL27801150 | 0.80 | CSNK2A1 (0.44) | TSHRALDH1A1TP53MEN1KMT2A | |
| SCHEMBL28754126 | 0.80 | DCLRE1B (0.43) | ALDH1A1TP53CA1CA2DCLRE1B | |
| SCHEMBL28591282 | 0.78 | ALDH1A1 (0.37) | TSHRALDH1A1TP53DCLRE1BMEN1 | |
| SCHEMBL27700587 | 0.78 | AKR1C3 (0.46) | TSHRALDH1A1KMT2AMAPTMAPK1 | |
| SCHEMBL8482265 | 0.77 | SMN1; SMN2 (0.59) | SMN1; SMN2TSHRCASP1ALDH1A1TP53 | |
| SCHEMBL1548854 | 0.77 | SMN1; SMN2 (0.59) | SMN1; SMN2TSHRCASP1ALDH1A1TP53 | |
| SCHEMBL8482266 | 0.77 | SMN1; SMN2 (0.59) | SMN1; SMN2TSHRCASP1ALDH1A1TP53 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-6048991-A | — | — | None | — | — | JP | disclosed |
| EP-0534317-B1 | Process for the preparation of chlorinated and fluorinated benzene compounds by selective nucleophilic fluorodenitration | HOECHST AG (DE) | 1995-12-27 | — | — | EP | disclosed |
| JP-H0648991-A | PREPARATION OF CHLORINATED AND FLUORINATED BENZENE COMPOUND BY SELECTIVE NUCLEOPHILIC FLUORODENITRATION | HOECHST AG | 1994-02-22 | — | — | JP | disclosed |
| US-5237087-A | Reacting benzoic acid derivative having chlorine and nitro substituents with potassium fluoride in dipolar aprotic solvent using phase transfer catalyst | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-08-17 | — | — | US | disclosed |