Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREB1 | P16220 | 6/20 | 0.82 |
| ▸ | ABCB1 | P08183 | 9/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.66 |
| ▸ | MAPT | P10636 | 4/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.66 |
| ▸ | MEN1 | O00255 | 3/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.66 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.66 |
| ▸ | FTO | Q9C0B1 | 3/20 | 0.66 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.66 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.66 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.66 |
| ▸ | PTPRS | Q13332 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.66 |
| ▸ | GABRP | O00591 | 2/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL29008532 | 0.93 | CREB1 (0.86) | CREB1ABCB1CYP3A4MAPTCYP2C9 | |
| SCHEMBL972407 | 0.90 | CREB1 (1.00) | CREB1ABCB1CYP3A4MAPTCYP2C9 | |
| SCHEMBL972837 | 0.87 | CREB1 (0.80) | CREB1ABCB1CYP3A4MAPTCYP2C9 | |
| SCHEMBL17663637 | 0.86 | CREB1 (0.81) | CREB1ABCB1CYP3A4MAPTCYP2C9 | |
| SCHEMBL972738 | 0.85 | CREB1 (0.70) | CREB1ABCB1CYP3A4MAPTCYP2C9 | |
| SCHEMBL22966700 | 0.84 | ABCB1 (0.60) | CREB1ABCB1CYP3A4MAPTCYP2C9 | |
| Baicalein SCHEMBL29200768 | 0.83 | ABCB1 (0.89) | CREB1ABCB1CYP3A4MAPTCYP2C9 | |
| SCHEMBL21224157 | 0.82 | MAPT (0.74) | CREB1ABCB1CYP3A4MAPTCYP2C9 | |
| SCHEMBL29494596 | 0.82 | MAPT (0.74) | CREB1ABCB1CYP3A4MAPTCYP2C9 | |
| SCHEMBL971180 | 0.82 | CREB1 (0.66) | CREB1ABCB1CYP3A4MAPTCYP2C9 |
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-2021026257-A1 | PRODRUGS OF ALOX-15 INHIBITORS AND METHODS OF USING THE SAME | EMPIRICO INC. (US) | 2021-02-11 | — | — | WO | disclosed |