Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pyridine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 10/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 10/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL4307620 | 1.00 | NAPRT (0.45) | NAPRTTSHRTDP1GRIN1GRIN2B | |
| Pyridine SCHEMBL28123986 | 0.98 | NAPRT (0.43) | NAPRTTSHRTDP1GRIN1GRIN2B | |
| Pyridine SCHEMBL27637981 | 0.98 | NAPRT (0.43) | NAPRTTSHRTDP1GRIN1GRIN2B | |
| Pyridine SCHEMBL27970732 | 0.98 | NAPRT (0.43) | NAPRTTSHRTDP1GRIN1GRIN2B | |
| Pyridine SCHEMBL27637980 | 0.98 | NAPRT (0.43) | NAPRTTSHRTDP1GRIN1GRIN2B | |
| Pyridine SCHEMBL27926369 | 0.98 | NAPRT (0.43) | NAPRTTSHRTDP1GRIN1GRIN2B | |
| Pyrazine SCHEMBL8097218 | 0.87 | CA2 (0.35) | NAPRTTSHRTDP1CA2USP2 | |
| Pyrimidine SCHEMBL3960330 | 0.85 | NAPRT (0.35) | NAPRTTSHRALDH1A1CA2USP2 | |
| Pyridine SCHEMBL6671998 | 0.84 | NAPRT (0.39) | NAPRTTSHRTDP1GRIN1GRIN2B | |
| Benzene SCHEMBL8151103 | 0.84 | TSHR (0.41) | TSHRTDP1CA2USP2 |
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-106831660-A | The method of micro-moisture in a kind of dehydration reagent and preparation method thereof and removing epoxyalkane | 辽宁奥克医药辅料股份有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-102692357-A | Quantitative analysis method for calcium sulphate crystal | ANHUI BBCA BIOCHEMICAL CO LTD | 2012-09-26 | — | — | CN | disclosed |