Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.35 |
| ▸ | GCGR | P47871 | 2/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | STAT1 | P42224 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.32 |
| ▸ | CSNK1E | P49674 | 3/20 | 0.32 |
| ▸ | TEK | Q02763 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8975057 | 0.98 | NPC1 (0.38) | NPC1RAB9AMAPK14GCGRMAPK13 | |
| Pyrazine SCHEMBL27843314 | 0.86 | STAT3 (0.38) | NPC1RAB9ASTAT3STAT1KDM4E | |
| Pyrazine SCHEMBL29018360 | 0.86 | STAT3 (0.38) | NPC1RAB9ASTAT3STAT1KDM4E | |
| SCHEMBL28880610 | 0.85 | STAT3 (0.33) | NPC1RAB9ASTAT3STAT1KDM4E | |
| Pyrazine SCHEMBL28215521 | 0.84 | STAT3 (0.37) | STAT3STAT1KDM4E | |
| SCHEMBL28788096 | 0.84 | STAT3 (0.37) | STAT3STAT1 | |
| Pyrazine SCHEMBL28653921 | 0.84 | STAT3 (0.37) | STAT3STAT1KDM4E | |
| Toluene SCHEMBL1978986 | 0.83 | STAT3 (0.44) | NPC1RAB9ASTAT3STAT1GAA | |
| SCHEMBL28835903 | 0.82 | STAT3 (0.36) | STAT3STAT1 | |
| Hydrochloric Acid SCHEMBL9238241 | 0.82 | STAT3 (0.40) | STAT3STAT1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0705821-A1 | Oxidation of nitrogen heterocycles and heterocyclic N-oxides produced thereby | SOLVAY INTEROX (Société Anonyme) (BE) | 1996-04-10 | — | — | EP | claimed |
| EP-0451650-B1 | Method for the production of o-hydroxy-benzaldehydes | BAYER AG (DE) | 1994-08-24 | — | — | EP | disclosed |
| US-5130493-A | Oxidation of o-cresol in the presence of a chelate compound of iron and manganese with mesotetraarylporphine | BAYER AKTIENGESELLSCHAFT (DE) | 1992-07-14 | — | — | US | disclosed |
| EP-0451650-A1 | Method for the production of o-hydroxy-benzaldehydes | BAYER AG (DE) | 1991-10-16 | — | — | EP | disclosed |