Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NT5E | P21589 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | METAP2 | P50579 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | NPM1 | P06748 | 1/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17075887 | 1.00 | HTT (0.40) | HTTNT5EMEN1KMT2AMAPT | |
| SCHEMBL396312 | 0.85 | NOS1 (0.36) | HTTNT5EMEN1KMT2AMAPT | |
| SCHEMBL25388440 | 0.80 | NOS1 (0.38) | KMT2AMAPTKDM4EALDH1A1NOS1 | |
| SCHEMBL29677534 | 0.78 | MEN1 (0.38) | HTTMEN1KMT2AMAPTKDM4E | |
| SCHEMBL6219191 | 0.78 | MEN1 (0.38) | HTTMEN1KMT2AMAPTKDM4E | |
| SCHEMBL22715522 | 0.77 | MEN1 (0.45) | HTTMEN1KMT2AMAPTKDM4E | |
| SCHEMBL23536840 | 0.77 | — | — | |
| SCHEMBL9998302 | 0.73 | METAP2 (0.41) | KDM4EMETAP2BACE1 | |
| SCHEMBL21432138 | 0.73 | GABRA1 (0.42) | MEN1KMT2AALDH1A1DYRK1ACYP1A2 | |
| SCHEMBL1526862 | 0.73 | MTNR1A (0.49) | MEN1KMT2AMAPTKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3976597-A1 | SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE | Janssen Pharmaceutica NV (BE) | 2022-04-06 | — | — | EP | disclosed |