Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 4/20 | 0.40 |
| ▸ | BCHE | P06276 | 3/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8219191 | 1.00 | KRAS (0.50) | KRASNPC1MAPTRAB9AKDM4E | |
| Hydrochloric Acid SCHEMBL8216200 | 0.95 | KRAS (0.51) | KRASNPC1MAPTRAB9AKDM4E | |
| Hydrochloric Acid SCHEMBL8216204 | 0.95 | KRAS (0.51) | KRASNPC1MAPTRAB9AKDM4E | |
| SCHEMBL8220496 | 0.90 | NPC1 (0.52) | NPC1MAPTRAB9AKMT2APTPN1 | |
| SCHEMBL8220493 | 0.90 | NPC1 (0.52) | NPC1MAPTRAB9AKMT2APTPN1 | |
| Hydrochloric Acid SCHEMBL8219535 | 0.86 | ABCG2 (0.46) | MAPTL3MBTL1MEN1ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL8219537 | 0.86 | ABCG2 (0.46) | MAPTL3MBTL1MEN1ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL8220605 | 0.86 | ABCG2 (0.46) | MAPTL3MBTL1MEN1ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL8219913 | 0.86 | ABCG2 (0.46) | MAPTL3MBTL1MEN1ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL8218425 | 0.86 | ABCG2 (0.46) | MAPTL3MBTL1MEN1ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6046218-A | 4,5-DIMETHOXY-2-(3-OXO-3-PHENYL-1-PROPENYL)PYRIDINE USED TO CURE THE DISEASES PRODUCED BY CYTOKINE | SS PHARMACEUTICAL CO., LTD. (JP) | 2000-04-04 | — | — | US | disclosed |
| EP-0838457-A1 | NOVEL PYRIDINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS ACTIVE INGREDIENT | SS Pharmaceutical Co., Ltd. (JP) | 1998-04-29 | — | — | EP | disclosed |