Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 6/20 | 0.57 |
| ▸ | NPC1 | O15118 | 5/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | PKM | P14618 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8217051 | 1.00 | KRAS (0.64) | KRASRAB9ANPC1KDM4EMAPT | |
| SCHEMBL8219209 | 0.85 | NPC1 (0.60) | RAB9ANPC1MAPTMEN1KMT2A | |
| SCHEMBL8219212 | 0.85 | NPC1 (0.60) | RAB9ANPC1MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8216204 | 0.83 | KRAS (0.51) | KRASRAB9ANPC1KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL8216200 | 0.83 | KRAS (0.51) | KRASRAB9ANPC1KDM4EMAPT | |
| SCHEMBL8219187 | 0.82 | KRAS (0.50) | KRASRAB9ANPC1KDM4EMAPT | |
| SCHEMBL8219191 | 0.82 | KRAS (0.50) | KRASRAB9ANPC1KDM4EMAPT | |
| SCHEMBL8218411 | 0.81 | CYP1A1 (0.68) | MAPTMEN1KMT2AALDH1A1LMNA | |
| SCHEMBL8218415 | 0.81 | CYP1A1 (0.68) | MAPTMEN1KMT2AALDH1A1LMNA | |
| SCHEMBL8218740 | 0.79 | CYP1A1 (0.64) | RAB9ANPC1MAPTMEN1KMT2A |
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 3 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 |
| CN-1182419-A | Novel pyridine derivatives and medicine containing the same as active ingredient | SS PHARMACEUTICAL CO (JP) | 1998-05-20 | — | — | CN | 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 |