Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 9/20 | 0.36 |
| ▸ | RORB | Q92753 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7367242 | 0.88 | ITGB3 (0.42) | RORC | |
| SCHEMBL7931599 | 0.88 | ITGB3 (0.42) | RORC | |
| SCHEMBL7931603 | 0.88 | ITGB3 (0.42) | RORC | |
| SCHEMBL7365561 | 0.86 | GFER (0.36) | RORCCYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL7370704 | 0.84 | CYP2D6 (0.38) | CYP3A4CYP2D6CYP2C9TSHRGRM5 | |
| SCHEMBL7368983 | 0.80 | CYP2D6 (0.41) | CYP3A4CYP2D6CYP2C9TSHRGRM5 | |
| SCHEMBL7362643 | 0.78 | MC4R (0.37) | LMNATSHR | |
| Hydrochloric Acid SCHEMBL7364672 | 0.77 | ITGB3 (0.44) | CYP3A4CYP2D6CYP2C9TSHR | |
| Hydrochloric Acid SCHEMBL7371045 | 0.77 | ALDH1A1 (0.39) | LMNACYP3A4CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL7362335 | 0.77 | MC4R (0.37) | LMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0970071-A1 | 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998039324-A1 | 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-11 | — | — | WO | disclosed |