Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.49 |
| ▸ | TUBB | P07437 | 2/20 | 0.49 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.49 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.49 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.49 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.49 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.49 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.49 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.49 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.49 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.49 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.49 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.49 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.49 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.48 |
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 SCHEMBL6282375 | 0.99 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP1A1CYP1B1TUBB4A | |
| SCHEMBL7143763 | 0.87 | ALDH1A1 (0.56) | CYP1A2CYP1A1CYP1B1ABCB1LMNA | |
| Bromide SCHEMBL6507643 | 0.86 | ALDH1A1 (0.55) | CYP1A2CYP1A1CYP1B1ABCB1LMNA | |
| SCHEMBL6498922 | 0.80 | KMT2A (0.55) | CYP1A2CYP1A1CYP1B1LMNA | |
| SCHEMBL7142887 | 0.80 | TDP1 (0.47) | — | |
| SCHEMBL7144956 | 0.80 | ALDH1A1 (0.55) | CYP1A2CYP1A1CYP1B1LMNA | |
| Bromide SCHEMBL6282381 | 0.79 | KMT2A (0.53) | CYP1A2CYP1A1CYP1B1LMNA | |
| Bromide SCHEMBL6279797 | 0.79 | TDP1 (0.46) | LMNA | |
| Bromide SCHEMBL6285575 | 0.79 | ALDH1A1 (0.54) | CYP1A2CYP1A1CYP1B1LMNA | |
| SCHEMBL7140967 | 0.76 | SMN1; SMN2 (0.51) | CYP2C19LMNA |
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 |