Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17606773 | 0.84 | CYP3A4 (0.41) | TDP1CYP3A4TSHRGABRA1GABRB1 | |
| SCHEMBL30564869 | 0.84 | CYP3A4 (0.41) | TDP1CYP3A4TSHRGABRA1GABRB1 | |
| SCHEMBL13550087 | 0.80 | CYP3A4 (0.38) | TDP1CYP3A4TSHRGABRA1GABRB1 | |
| SCHEMBL13429842 | 0.80 | CYP3A4 (0.38) | TDP1CYP3A4TSHRGABRA1GABRB1 | |
| SCHEMBL15709089 | 0.80 | CYP3A4 (0.38) | TDP1CYP3A4TSHRGABRA1GABRB1 | |
| SCHEMBL14247166 | 0.80 | NMT1 (0.38) | TDP1CYP3A4TSHRGABRA1GABRB1 | |
| SCHEMBL1494587 | 0.79 | GAA (0.38) | KMT2AMAPTCA1CA9APEX1 | |
| SCHEMBL2918852 | 0.76 | MEN1 (0.36) | TDP1CYP3A4TSHRGABRA1GABRB1 | |
| SCHEMBL31616900 | 0.76 | KDM1A (0.35) | TDP1CYP3A4TSHRGABRA1GABRB1 | |
| SCHEMBL10779859 | 0.76 | TDP1 (0.35) | TDP1CYP3A4TSHRGABRA1GABRB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101550104-B | Benzene-naphthalene diimide derivative, preparation method and its application | UNIV SHENZHEN | 2012-01-04 | — | — | CN | disclosed |
| US-6242654-B1 | REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-1013629-A1 | Preparation process of fluorine subsituted aromatic compound | Mitsui Chemicals, Inc. (JP) | 2000-06-28 | — | — | EP | disclosed |