Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CTSD | P07339 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
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 SCHEMBL6284643 | 0.99 | TSHR (0.49) | TSHRPOLBALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL5308331 | 0.88 | HPGD (0.55) | ALDH1A1HPGDCTSDXBP1MEN1 | |
| SCHEMBL1694645 | 0.82 | USP2 (0.51) | ALDH1A1MAPTHPGDCTSDXBP1 | |
| Hydrochloric Acid SCHEMBL11475025 | 0.82 | TSHR (0.50) | TSHRPOLBALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL7147778 | 0.80 | TYK2 (0.50) | ALDH1A1SMN1; SMN2NPC1RAB9ACYP1A2 | |
| Bromide SCHEMBL6280875 | 0.79 | TYK2 (0.49) | ALDH1A1SMN1; SMN2NPC1RAB9ACYP1A2 | |
| SCHEMBL3364578 | 0.77 | CTSD (0.53) | ALDH1A1SMN1; SMN2HPGDCTSDXBP1 | |
| SCHEMBL7148504 | 0.77 | JAK2 (0.50) | POLBALDH1A1SMN1; SMN2MAPTJAK2 | |
| SCHEMBL2339959 | 0.76 | CTSD (0.51) | ALDH1A1SMN1; SMN2HPGDCTSDXBP1 | |
| Bromide SCHEMBL6280880 | 0.76 | JAK2 (0.49) | POLBALDH1A1SMN1; SMN2MAPTJAK2 |
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-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 |