Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL29179560 | 0.83 | ALDH1A1 (0.61) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL2154504 | 0.80 | KMT2A (0.47) | MAPTKMT2AGAAKDM4EMEN1 | |
| SCHEMBL173301 | 0.80 | ALDH1A1 (0.64) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL7199971 | 0.79 | ENPP2 (0.49) | ALDH1A1CYP3A4XDHMAPTKMT2A | |
| SCHEMBL991288 | 0.77 | LOXL2 (0.52) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL350919 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRMAPTKMT2AKDM4E | |
| Bromide SCHEMBL8645583 | 0.77 | ALDH1A1 (0.61) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Phosphine SCHEMBL28908227 | 0.77 | ALDH1A1 (0.61) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Bromide SCHEMBL28224574 | 0.76 | LOXL2 (0.50) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Water SCHEMBL28100235 | 0.75 | ALDH1A1 (0.54) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003042148-A2 | PROCESS FOR PRODUCING BISBENZIL COMPOUNDS | SHOWA DENKO K. K. (JP) | 2003-05-22 | — | — | WO | disclosed |