Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MAP2K1 | Q02750 | 4/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 2/20 | 0.34 |
| ▸ | PLK4 | O00444 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 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 | |
|---|---|---|---|---|
| SCHEMBL28451617 | 0.80 | TSHR (0.47) | NPC1RAB9ALMNACYP1A2CYP3A4 | |
| SCHEMBL20973053 | 0.74 | MEN1 (0.51) | NPC1RAB9AMETAP2AURKA | |
| SCHEMBL4731645 | 0.73 | METAP2 (0.40) | NPC1RAB9ACYP1A2SMN1; SMN2METAP2 | |
| SCHEMBL31358108 | 0.73 | METAP2 (0.40) | NPC1RAB9ACYP1A2SMN1; SMN2METAP2 | |
| SCHEMBL31093692 | 0.72 | IDO1 (0.36) | IDO1CYP1A2MAP2K1METAP2PLK4 | |
| SCHEMBL30923294 | 0.72 | PLK4 (0.33) | IDO1MAP2K1METAP2PLK4CHEK1 | |
| SCHEMBL543156 | 0.71 | TSHR (0.47) | NPC1RAB9ALMNACYP1A2CYP3A4 | |
| SCHEMBL1473790 | 0.71 | NOS1 (0.46) | IDO1CYP1A2METAP2PTK2 | |
| SCHEMBL13485805 | 0.69 | HDAC8 (0.56) | HDAC6IDO1RAB9ALMNAHDAC1 | |
| SCHEMBL25469229 | 0.67 | MAPT (0.43) | IDO1CYP3A4HTTMETAP2PLK4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117756793-A | 1,2, 4-heterodiazole derivatives and use thereof | 四川大学 | 2024-03-26 | — | — | CN | disclosed |