Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL827023 | 0.83 | CYP1A2 (0.46) | CYP1A2CYP2D6TSHR | |
| SCHEMBL6343186 | 0.77 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL27381193 | 0.77 | TSHR (0.44) | CYP1A2CYP2D6TSHR | |
| SCHEMBL28966851 | 0.76 | TSHR (0.43) | CYP1A2CYP2D6TSHR | |
| SCHEMBL3784364 | 0.74 | HPGD (0.49) | TSHR | |
| Methylamine SCHEMBL27926120 | 0.72 | TSHR (0.52) | CYP1A2CYP2D6TSHR | |
| SCHEMBL6988130 | 0.72 | TSHR (0.56) | TSHR | |
| SCHEMBL30350 | 0.72 | — | — | |
| SCHEMBL10507082 | 0.72 | — | — | |
| 2-Acetylpyrrole SCHEMBL150349 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1218348-A2 | INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE | AGOURON PHARMACEUTICALS, INC. (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001002369-A2 | INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE | AGOURON PHARMACEUTICALS, INC. (US) | 2001-01-11 | — | — | WO | disclosed |
| US-4713383-A | ADENOSINE AND BENZODIAZEPINE ANTAGONISTS | CIBA-GEIGY CORPORATION (US) | 1987-12-15 | — | — | US | disclosed |