Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3594103 | 0.86 | P2RX7 (0.59) | P2RX7ALDH1A1HPGDKDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL25406612 | 0.79 | CYP2A6 (0.42) | P2RX7CYP2A6CYP11B2HSD11B1IDO1 | |
| SCHEMBL30542459 | 0.71 | RECQL (0.52) | P2RX7ALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL17457925 | 0.71 | CYP2A6 (0.47) | NPC1RAB9ACYP2A6SMN1; SMN2CYP11B2 | |
| SCHEMBL28335461 | 0.71 | CYP2A6 (0.54) | ALDH1A1CYP2A6CYP11B2L3MBTL1 | |
| SCHEMBL3585411 | 0.70 | P2RX7 (0.74) | P2RX7 | |
| SCHEMBL29995759 | 0.67 | CYP11B1 (0.65) | CYP11B2CYP11B1 | |
| SCHEMBL177863 | 0.67 | CYP11B1 (0.65) | CYP11B2CYP11B1 | |
| SCHEMBL21863405 | 0.67 | ALDH1A1 (0.46) | P2RX7ALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL3599968 | 0.67 | P2RX7 (1.00) | P2RX7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109721586-B | 5-benzyl-3-pyridyl-1H-1, 2, 4-triazole compound and preparation method and application thereof | 中国医科大学 | 2021-03-02 | — | — | CN | disclosed |
| CN-109721586-B | 5-benzyl-3-pyridyl-1H-1, 2, 4-triazole compound and preparation method and application thereof | 中国医科大学 | 2021-03-02 | — | — | CN | disclosed |
| CN-109721586-B | 5-benzyl-3-pyridyl-1H-1, 2, 4-triazole compound and preparation method and application thereof | 中国医科大学 | 2021-03-02 | — | — | CN | disclosed |