Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6284177 | 0.98 | CYP1A2 (0.53) | CYP1A2ALDH1A1LMNACYP2C9CYP2C19 | |
| Bromide SCHEMBL6617810 | 0.92 | CYP1A2 (0.54) | CYP1A2ALDH1A1LMNACYP2C9CYP2C19 | |
| SCHEMBL3089210 | 0.89 | ALDH1A1 (0.62) | CYP1A2ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL6201289 | 0.84 | ALDH1A1 (0.61) | CYP1A2ALDH1A1LMNASMN1; SMN2MAPT | |
| SCHEMBL3105019 | 0.83 | ALDH1A1 (0.55) | CYP1A2ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL2150940 | 0.83 | ALDH1A1 (0.55) | CYP1A2ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL5856026 | 0.83 | CYP1A2 (0.53) | CYP1A2ALDH1A1LMNACYP2C9CYP2C19 | |
| SCHEMBL7142373 | 0.82 | NPC1 (0.54) | CYP1A2ALDH1A1CYP2C9CYP2C19MAPT | |
| SCHEMBL6695151 | 0.82 | ALDH1A1 (0.36) | CYP1A2ALDH1A1LMNACYP2C9CYP2C19 | |
| SCHEMBL6498922 | 0.82 | KMT2A (0.55) | CYP1A2ALDH1A1LMNAMAPTGAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6620825-B1 | 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-16 | — | — | US | disclosed |
| US-6436966-B1 | Adenosine A3 receptor antagonists | TAKEDA CHEMICAL IND., LTD. (JP) | 2002-08-20 | — | — | US | disclosed |
| EP-0149884-B1 | 5-PYRIDYL-1,3-THIAZOLE DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1992-12-16 | — | — | EP | disclosed |
| US-4612321-A | 5-pyridyl-1,3-thiazole derivatives | TAKEDA CHEMICAL INDUSTRIES, INC. (JP) | 1986-09-16 | — | — | US | disclosed |
| EP-0149884-A2 | 5-Pyridyl-1,3-thiazole derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1985-07-31 | — | — | EP | disclosed |