Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5403788 | 0.95 | CYP3A4 (0.52) | CYP3A4TDP1ALOX15SMN1; SMN2CASP1 | |
| SCHEMBL29620625 | 0.95 | CYP3A4 (0.52) | CYP3A4TDP1ALOX15SMN1; SMN2CASP1 | |
| Iodide SCHEMBL8511390 | 0.93 | CYP3A4 (0.50) | CYP3A4TDP1ALOX15SMN1; SMN2CASP1 | |
| Bromide SCHEMBL17963057 | 0.93 | CYP3A4 (0.50) | CYP3A4TDP1ALOX15SMN1; SMN2CASP1 | |
| SCHEMBL3064055 | 0.84 | CYP3A4 (0.53) | CYP3A4TDP1ALOX15SMN1; SMN2CASP1 | |
| SCHEMBL31193487 | 0.79 | CYP3A4 (0.46) | CYP3A4TDP1ALOX15SMN1; SMN2CASP1 | |
| SCHEMBL8073956 | 0.78 | CYP3A4 (0.65) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL30842821 | 0.78 | ALDH1A1 (0.54) | CYP3A4TDP1ALOX15SMN1; SMN2CASP1 | |
| SCHEMBL30842815 | 0.78 | ALDH1A1 (0.54) | CYP3A4TDP1ALOX15SMN1; SMN2CASP1 | |
| SCHEMBL29230460 | 0.78 | ALDH1A1 (0.54) | CYP3A4TDP1ALOX15SMN1; SMN2CASP1 |
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-6093099-A | — | — | None | — | — | JP | disclosed |
| JP-H0693099-A | AROMATIC COPOLYAMIDE | TOKUYAMA SODA CO LTD | 1994-04-05 | — | — | JP | disclosed |
| EP-0218100-B1 | CONJUGATED ALKADIENE TELOMERIZATION TO ORGANO-OXYALKADIENES | QUANTUM CHEMICAL CORPORATION (a Virginia corp.) (US) | 1989-11-29 | — | — | EP | disclosed |
| EP-0218100-A1 | Conjugated alkadiene telomerization to organo-oxyalkadienes | QUANTUM CHEMICAL CORPORATION (a Virginia corp.) (US) | 1987-04-15 | — | — | EP | disclosed |