Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.47 |
| ▸ | NT5E | P21589 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | NPM1 | P06748 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30973192 | 1.00 | BACE1 (0.47) | BACE1NT5EHTTPABPC1CYP2A6 | |
| SCHEMBL18571738 | 0.83 | BACE1 (0.48) | BACE1NT5EHTTPABPC1CYP2A6 | |
| SCHEMBL1128599 | 0.80 | BACE1 (0.44) | BACE1NT5EHTTPABPC1CYP1A2 | |
| SCHEMBL2226679 | 0.80 | BACE1 (0.44) | BACE1NT5EHTTPABPC1CYP2A6 | |
| SCHEMBL10914745 | 0.78 | PDE3B (0.44) | BACE1CYP2A6RXFP1TDP1 | |
| SCHEMBL1767828 | 0.77 | KMT2A (0.61) | BACE1NT5EHTTPABPC1CYP1A2 | |
| SCHEMBL8672 | 0.77 | CYP1A2 (0.57) | BACE1NT5EHTTCYP2A6CYP1A2 | |
| SCHEMBL4347785 | 0.77 | BACE1 (0.58) | BACE1NT5EHTTPABPC1CYP2A6 | |
| SCHEMBL29768297 | 0.77 | BACE1 (0.58) | BACE1NT5EHTTPABPC1CYP2A6 | |
| SCHEMBL1767710 | 0.76 | ALDH1A1 (0.49) | BACE1NT5EHTTCYP1A2CYP2D6 |
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-2023002011-A1 | GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2023-01-26 | — | — | WO | disclosed |