Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.54 |
| ▸ | AR | P10275 | 10/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | PGR | P06401 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL213627 | 0.81 | SIRT6 (0.54) | SIRT6ARCYP3A4LMNATSHR | |
| SCHEMBL29351198 | 0.81 | SIRT6 (0.54) | SIRT6ARCYP3A4LMNATSHR | |
| SCHEMBL4310481 | 0.79 | ALDH1A1 (0.53) | SIRT6ARCYP3A4LMNATSHR | |
| SCHEMBL1998640 | 0.79 | CYP3A4 (0.52) | SIRT6ARCYP3A4LMNATSHR | |
| SCHEMBL31138869 | 0.79 | ALDH1A1 (0.53) | SIRT6ARCYP3A4LMNATSHR | |
| SCHEMBL2639009 | 0.79 | SIRT6 (0.51) | SIRT6ARCYP3A4LMNATSHR | |
| SCHEMBL29788520 | 0.79 | ATM (0.60) | SIRT6ARCYP3A4LMNATSHR | |
| SCHEMBL377777 | 0.79 | ATM (0.60) | SIRT6ARCYP3A4LMNATSHR | |
| SCHEMBL11682398 | 0.78 | SIRT6 (0.50) | SIRT6ARCYP3A4LMNATSHR | |
| SCHEMBL6119720 | 0.78 | CYP3A4 (0.60) | SIRT6ARCYP3A4LMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1776100-A4 | TREATMENT OF CANCER USING BENZOIC ACID DERIVATIVES | UNIV NEW YORK (US) | 2007-12-26 | — | — | EP | disclosed |
| EP-1776100-A2 | TREATMENT OF CANCER USING BENZOIC ACID DERIVATIVES | NEW YORK UNIVERSITY (US) | 2007-04-25 | — | — | EP | disclosed |
| WO-2005070024-A2 | TREATMENT OF CANCER USING BENZOIC ACID DERIVATIVES | NEW YORK UNIVERSITY (US) | 2005-08-04 | — | — | WO | disclosed |