Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | ACACA | Q13085 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9687913 | 0.88 | CYP3A4 (0.45) | CYP3A4TP53KDM4ETSHRALDH1A1 | |
| SCHEMBL9688988 | 0.85 | CYP3A4 (0.42) | CYP3A4TP53KDM4ETSHRALDH1A1 | |
| SCHEMBL9687568 | 0.78 | PNMT (0.39) | TSHRALDH1A1MEN1KMT2AMAPK1 | |
| SCHEMBL9688872 | 0.77 | AOC3 (0.37) | ALDH1A1 | |
| SCHEMBL254878 | 0.76 | KDM4E (0.63) | CYP3A4TP53KDM4ETSHRALDH1A1 | |
| SCHEMBL25384205 | 0.74 | TP53 (0.53) | CYP3A4TP53KDM4ETSHRALDH1A1 | |
| SCHEMBL12251506 | 0.74 | TP53 (0.53) | CYP3A4TP53KDM4ETSHRALDH1A1 | |
| SCHEMBL16953912 | 0.73 | TP53 (0.52) | CYP3A4TP53KDM4ETSHRALDH1A1 | |
| SCHEMBL8045881 | 0.73 | TP53 (0.52) | CYP3A4TP53KDM4ETSHRALDH1A1 | |
| SCHEMBL4280414 | 0.73 | TP53 (0.56) | CYP3A4TP53KDM4ETSHRALDH1A1 |
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-5136114-A | PROCESS FOR THE PREPARATION OF GEMINAL DIARYLALKANES, NEW GEMINAL DIARYLALKANES AND ALK(EN)YLATED AROMATIC COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-04 | — | — | US | disclosed |