Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | NCF1 | P14598 | 8/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23412206 | 0.94 | TDP1 (0.62) | TDP1KDM4EMAPK1NCF1CYP3A4 | |
| SCHEMBL23412359 | 0.94 | TDP1 (0.62) | TDP1KDM4EMAPK1NCF1CYP3A4 | |
| SCHEMBL23412184 | 0.94 | TDP1 (0.62) | TDP1KDM4EMAPK1NCF1CYP3A4 | |
| SCHEMBL23412382 | 0.94 | TDP1 (0.62) | TDP1KDM4EMAPK1NCF1CYP3A4 | |
| SCHEMBL23412356 | 0.94 | KDM4E (0.62) | TDP1KDM4EMAPK1NCF1CYP3A4 | |
| SCHEMBL23412255 | 0.94 | KDM4E (0.62) | TDP1KDM4EMAPK1NCF1CYP3A4 | |
| SCHEMBL23412131 | 0.94 | KDM4E (0.62) | TDP1KDM4EMAPK1NCF1CYP3A4 | |
| SCHEMBL23412137 | 0.89 | CYP3A4 (0.68) | TDP1KDM4EMAPK1NCF1CYP3A4 | |
| SCHEMBL23412263 | 0.87 | NPC1 (0.68) | TDP1KDM4EMAPK1NCF1CYP3A4 | |
| SCHEMBL14937684 | 0.83 | CYP3A4 (0.69) | TDP1KDM4EMAPK1NCF1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021105497-A1 | SMALL-MOLECULE NADPH OXIDASE 2 INHIBITORS | UNIVERSITY OF COPENHAGEN (DK) | 2021-06-03 | — | — | WO | disclosed |
| WO-2021105497-A1 | SMALL-MOLECULE NADPH OXIDASE 2 INHIBITORS | UNIVERSITY OF COPENHAGEN (DK) | 2021-06-03 | — | — | WO | disclosed |