Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | PLAT | P00750 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17521747 | 0.89 | BACE1 (0.48) | BACE1ELANEKMT2AATMKDM4E | |
| SCHEMBL18308840 | 0.88 | BACE1 (0.47) | BACE1ELANEKMT2AATMKDM4E | |
| SCHEMBL20275237 | 0.88 | CYP1A2 (0.50) | BACE1ELANEKMT2AATMKDM4E | |
| SCHEMBL24440903 | 0.86 | BACE1 (0.51) | BACE1ELANEKMT2AATMKDM4E | |
| SCHEMBL24440831 | 0.85 | BACE1 (0.44) | BACE1ELANEKMT2AATMKDM4E | |
| SCHEMBL20842596 | 0.85 | BACE1 (0.54) | BACE1ELANEKMT2AKDM4EMAPT | |
| SCHEMBL17625806 | 0.85 | BACE1 (0.60) | BACE1ELANEKMT2AATMKDM4E | |
| SCHEMBL25944794 | 0.84 | BACE1 (0.47) | BACE1ELANEKMT2AATMKDM4E | |
| SCHEMBL21589325 | 0.84 | ELANE (0.44) | BACE1ELANEKMT2AATMKDM4E | |
| SCHEMBL21589321 | 0.83 | THRB (0.41) | BACE1KDM4EMAPTALDH1A1HPGD |
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-2019233978-A1 | ADDITIVES FOR LIQUID-CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 2019-12-12 | — | — | WO | disclosed |