Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1437003 | 0.98 | CYP3A4 (0.48) | CYP3A4TSHRALDH1A1TP53CASP1 | |
| Ethylene SCHEMBL27542624 | 0.93 | CYP3A4 (0.45) | CYP3A4TSHRALDH1A1TP53CASP1 | |
| SCHEMBL11677054 | 0.85 | CYP3A4 (0.54) | CYP3A4TSHRALDH1A1TP53CASP1 | |
| SCHEMBL8974977 | 0.79 | KEAP1 (0.53) | CYP3A4TSHRALDH1A1TP53CASP1 | |
| SCHEMBL2891876 | 0.79 | AKR1C2 (0.57) | TSHRALDH1A1TP53CASP1SMN1; SMN2 | |
| SCHEMBL3136996 | 0.79 | TSHR (0.43) | CYP3A4TSHRALDH1A1TP53CASP1 | |
| SCHEMBL543424 | 0.79 | CYP3A4 (0.45) | CYP3A4TSHRALDH1A1TP53CASP1 | |
| SCHEMBL30632048 | 0.79 | AKR1C2 (0.57) | TSHRALDH1A1TP53CASP1SMN1; SMN2 | |
| SCHEMBL14273026 | 0.79 | AKR1C2 (0.57) | CYP3A4TSHRALDH1A1TP53CASP1 | |
| SCHEMBL1315659 | 0.78 | CYP3A4 (0.48) | CYP3A4TSHRALDH1A1TP53CASP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1233010-B1 | Method for production of organic fluorine compound | NIPPON CATALYTIC CHEM IND (JP) | 2005-06-15 | — | — | EP | disclosed |
| EP-0899256-B1 | Method for production of organic fluorine compound | NIPPON CATALYTIC CHEM IND (JP) | 2003-08-06 | — | — | EP | disclosed |
| EP-1233010-A1 | Method for production of organic fluorine compound | Nippon Shokubai Co., Ltd. (JP) | 2002-08-21 | — | — | EP | disclosed |
| US-6392084-B1 | FLUORINATION OF AN ORGANO(BROMINE OR CHLORIDE) COMPOUND IN BENZONITRILE SOLVENT | NIPPON SHOKUBAI CO., LTD. (JP) | 2002-05-21 | — | — | US | disclosed |
| EP-0899256-A2 | Method for production of organic fluorine compound | NIPPON SHOKUBAI CO., LTD. (JP) | 1999-03-03 | — | — | EP | disclosed |