Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9632582 | 1.00 | FBP1 (0.53) | FBP1ALDH1A1CYP2A6KDM4ECYP3A4 | |
| SCHEMBL2152818 | 0.78 | FBP1 (0.49) | FBP1ALDH1A1CYP2A6KDM4ECYP3A4 | |
| SCHEMBL30128650 | 0.78 | FBP1 (0.49) | FBP1ALDH1A1CYP2A6KDM4ECYP3A4 | |
| SCHEMBL28609695 | 0.75 | ALDH1A1 (0.64) | FBP1ALDH1A1CYP2A6KDM4ECYP3A4 | |
| SCHEMBL9633590 | 0.75 | ALDH1A1 (0.64) | FBP1ALDH1A1CYP2A6KDM4ECYP3A4 | |
| SCHEMBL9631776 | 0.75 | FBP1 (0.48) | FBP1CYP2A6KDM4ECA1RELA | |
| SCHEMBL9632571 | 0.74 | FBP1 (0.53) | FBP1ALDH1A1KDM4ECYP3A4LMNA | |
| SCHEMBL13100474 | 0.74 | NR1I2 (0.46) | ALDH1A1CYP3A4LMNAPTGS2CYP19A1 | |
| SCHEMBL9631799 | 0.73 | EGFR (0.47) | FBP1ALDH1A1KDM4ECYP3A4LMNA | |
| SCHEMBL11754100 | 0.73 | ALDH1A1 (0.50) | FBP1ALDH1A1CYP2A6LMNATRPA1 |
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-2009136920-A1 | MULTIFUNCTIONAL NITRONES IN NON-RADICAL SYSTEMS | HENKEL CORPORATION (US) | 2009-11-12 | — | — | WO | disclosed |