Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6050425 | 0.82 | MEN1 (0.39) | MEN1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL23833648 | 0.80 | ALDH1A1 (0.36) | MEN1KMT2AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL30094598 | 0.80 | ALDH1A1 (0.36) | MEN1KMT2AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL28862789 | 0.78 | MEN1 (0.31) | MEN1KMT2AALDH1A1RAB9AKDM4E | |
| SCHEMBL28492574 | 0.78 | NOS3 (0.40) | IDO1ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL12749929 | 0.75 | NPC1 (0.31) | ALDH1A1NPC1RAB9A | |
| SCHEMBL29928048 | 0.74 | ALDH1A1 (0.31) | MEN1KMT2AALDH1A1L3MBTL1 | |
| SCHEMBL28862838 | 0.74 | ALDH1A1 (0.31) | MEN1KMT2AALDH1A1L3MBTL1 | |
| SCHEMBL727359 | 0.69 | — | — | |
| SCHEMBL29449468 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113563309-B | Pyridine derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2024-12-13 | — | — | CN | disclosed |
| CN-113563309-A | Pyridine derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2021-10-29 | — | — | CN | disclosed |