Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | GRM5 | P41594 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.42 |
| ▸ | RELA | Q04206 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL25236791 | 1.00 | KMT2A (0.56) | KMT2AMEN1NPC1RAB9APKM | |
| SCHEMBL28576081 | 0.81 | KMT2A (0.50) | KMT2AMEN1NPC1RAB9APKM | |
| SCHEMBL9335195 | 0.81 | PRSS1 (0.44) | KMT2AMEN1NPC1RAB9APKM | |
| SCHEMBL7401799 | 0.80 | NPC1 (0.53) | KMT2ANPC1RAB9APKMGRM5 | |
| SCHEMBL12441772 | 0.80 | KMT2A (0.66) | KMT2AMEN1NPC1RAB9APKM | |
| SCHEMBL10824241 | 0.80 | KMT2A (0.59) | KMT2AMEN1NPC1RAB9APKM | |
| SCHEMBL1793374 | 0.78 | PARP1 (0.56) | KMT2AMEN1NPC1RAB9AHPGD | |
| Methyl Alcohol SCHEMBL28478481 | 0.78 | ALDH1A1 (0.58) | KMT2ANPC1RAB9APKMLMNA | |
| SCHEMBL9336728 | 0.77 | KDM4E (0.55) | KMT2ANPC1RAB9APKMLMNA | |
| SCHEMBL12802229 | 0.76 | SMN1; SMN2 (0.53) | KMT2AMEN1NPC1RAB9AHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4192456-A1 | STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS | Universita' degli studi di Brescia (IT) | 2023-06-14 | — | — | EP | disclosed |
| CN-113527186-B | Asymmetric catalytic synthesis method of chiral alpha-azaarene tertiary carbon center compound | 河南工业大学 | 2023-04-14 | — | — | CN | disclosed |
| WO-2022029151-A1 | STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS | UNIVERSITA' DEGLI STUDI DI BRESCIA (IT) | 2022-02-10 | — | — | WO | disclosed |