Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.33 |
| ▸ | FAP | Q12884 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7368983 | 0.87 | CYP2D6 (0.41) | CYP2D6CYP3A4TSHRCYP2C9GRM5 | |
| SCHEMBL7365561 | 0.85 | GFER (0.36) | CYP2D6CYP3A4TSHRCYP2C9GRM5 | |
| SCHEMBL7370709 | 0.85 | ITGB3 (0.46) | CYP2D6CYP3A4TSHRCYP2C9ITGB3 | |
| SCHEMBL7935145 | 0.85 | ITGB3 (0.46) | CYP2D6CYP3A4TSHRCYP2C9ITGB3 | |
| SCHEMBL7370702 | 0.85 | ITGB3 (0.46) | CYP2D6CYP3A4TSHRCYP2C9ITGB3 | |
| SCHEMBL7362643 | 0.84 | MC4R (0.37) | TSHRALDH1A1HRH3TP53MAPT | |
| SCHEMBL7367244 | 0.84 | RORC (0.36) | CYP2D6CYP3A4TSHRCYP2C9GRM5 | |
| Hydrochloric Acid SCHEMBL7371045 | 0.84 | ALDH1A1 (0.39) | CYP2D6CYP3A4TSHRALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL7362335 | 0.84 | MC4R (0.37) | TSHRALDH1A1HRH3TP53MAPT | |
| SCHEMBL7362301 | 0.83 | SMN1; SMN2 (0.39) | ALDH1A1GAAITGB3ITGA2BRAB9A |
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 |