Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 6/20 | 0.50 |
| ▸ | MAOB | P27338 | 6/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL24938154 | 0.81 | AR (0.46) | MAOAMAOBHRH3KDM4EKCNJ1 | |
| SCHEMBL18582856 | 0.78 | DRD2 (0.42) | HRH3 | |
| SCHEMBL446306 | 0.75 | MGLL (0.35) | ALDH1A1 | |
| SCHEMBL19903237 | 0.75 | HPGD (0.38) | MAOAMAOBKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL24894074 | 0.75 | KMT2A (0.38) | HRH3KDM4ETP53ALDH1A1 | |
| SCHEMBL24124260 | 0.75 | ALDH1A1 (0.47) | KDM4ETP53ALDH1A1L3MBTL1 | |
| SCHEMBL4872049 | 0.74 | ALDH1A1 (0.53) | KCNH2ALDH1A1 | |
| SCHEMBL19159879 | 0.73 | USP2 (0.40) | MAOAMAOBKCNH2ALDH1A1 | |
| SCHEMBL19903214 | 0.72 | HPGD (0.39) | MAOAMAOBALDH1A1L3MBTL1CYP2A6 | |
| SCHEMBL15721254 | 0.72 | MAPK1 (0.44) | KDM4ETP53ALDH1A1L3MBTL1 |
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-2023007147-A1 | 6-SUBSTITUTED NAPHTHALENE-1,3-DISULFONIC ACID DERIVATIVES AS MODULATORS OF THE EXTRACELLULAR NICOTINAMIDE PHOSPHORIBOSYL TRANSFERASE (ENAMPT) FOR THE TREATMENT OF E.G. DIABETES | THE UNIVERSITY OF MANCHESTER (GB) | 2023-02-02 | — | — | WO | disclosed |