Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLOD2 | O00469 | 1/20 | 0.35 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.35 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.33 |
| ▸ | ABCC9 | O60706 | 2/20 | 0.33 |
| ▸ | ABCC8 | Q09428 | 2/20 | 0.33 |
| ▸ | KCNJ11 | Q14654 | 2/20 | 0.33 |
| ▸ | KCNJ8 | Q15842 | 2/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TYK2 | P29597 | 1/20 | 0.30 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL5069402 | 0.81 | USP2 (0.45) | PLOD2PLOD3PLOD1KIF11KMT2A | |
| Trifluoromethanesulfonic Acid SCHEMBL30504299 | 0.81 | KIF11 (0.50) | PLOD2PLOD3PLOD1KIF11KMT2A | |
| Trifluoromethanesulfonic Acid SCHEMBL3991498 | 0.79 | ALDH1A1 (0.38) | PLOD2PLOD3PLOD1NAPRTL3MBTL1 | |
| Trifluoromethanesulfonic Acid SCHEMBL669548 | 0.79 | PTGS2 (0.42) | PLOD2PLOD3PLOD1KIF11KMT2A | |
| Isonicotinonitrile SCHEMBL669363 | 0.75 | SLC22A12 (0.48) | KIF11KMT2APTGS1PTGS2SLC22A12 | |
| Trifluoromethanesulfonic Acid SCHEMBL5974348 | 0.75 | TDP1 (0.46) | PLOD2PLOD3PLOD1RAB9AALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL1377208 | 0.75 | CHRM5 (0.59) | KMT2APTGS1HPGDRAB9APTGS2 | |
| SCHEMBL9062720 | 0.74 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL21225256 | 0.73 | NAPRT (0.45) | PTGS1NAPRTPTGS2L3MBTL1ALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL318231 | 0.73 | NAPRT (0.45) | PTGS1NAPRTPTGS2L3MBTL1ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114716367-B | Method for preparing 4-mercaptopyridine compound by micro-flow field reactor technology | 南京工业大学 | 2024-04-12 | — | — | CN | disclosed |
| CN-114716367-A | Method for preparing 4-mercaptopyridine compound by virtue of micro-flow field reactor technology | 南京工业大学 | 2022-07-08 | — | — | CN | disclosed |
| CN-114573658-A | Method for realizing pyridine selective functionalization of cysteine and polypeptide thereof by using microchannel reactor | 南京工业大学 | 2022-06-03 | — | — | CN | disclosed |
| CN-113387876-B | Nickel-catalyzed direct reduction cross-coupling method for heterocyclic phosphonium salt and aryl bromide and product | 南京工业大学 | 2022-04-15 | — | — | CN | disclosed |
| CN-113645971-A | Compound and use thereof | 福宏治疗公司 | 2021-11-12 | — | — | CN | disclosed |
| CN-113387876-A | Nickel-catalyzed direct reduction cross-coupling method for heterocyclic phosphonium salt and aryl bromide and product | 南京工业大学 | 2021-09-14 | — | — | CN | disclosed |