Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.52 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.44 |
| ▸ | AKT1 | P31749 | 3/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.43 |
| ▸ | AKT2 | P31751 | 1/20 | 0.43 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 5/20 | 0.42 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | FAP | Q12884 | 1/20 | 0.40 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7285561 | 0.99 | HDAC8 (0.54) | HDAC8SLC15A1OPRD1AKT1PLAU | |
| SCHEMBL7276024 | 0.83 | ITGB3 (0.43) | DPP4 | |
| Hydrochloric Acid SCHEMBL7278971 | 0.82 | ITGB3 (0.43) | DPP4 | |
| SCHEMBL16465214 | 0.78 | HDAC8 (0.58) | HDAC8SLC15A1OPRD1AKT1PLAU | |
| SCHEMBL16466269 | 0.78 | HDAC8 (0.58) | HDAC8SLC15A1OPRD1AKT1PLAU | |
| SCHEMBL28018784 | 0.78 | HDAC8 (0.58) | HDAC8SLC15A1OPRD1AKT1PLAU | |
| SCHEMBL25426510 | 0.78 | ALDH1A1 (0.54) | — | |
| SCHEMBL29218649 | 0.77 | ALDH1A1 (0.45) | — | |
| SCHEMBL7368700 | 0.77 | RAB9A (0.48) | — | |
| SCHEMBL23291427 | 0.76 | PRMT5 (0.48) | — |
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-0529858-B1 | 2-Piperazinone compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-10-15 | — | — | EP | disclosed |
| US-5294713-A | Inhibiting cell adhesion | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-03-15 | — | — | US | disclosed |
| EP-0529858-A1 | 2-Piperazinone compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1993-03-03 | — | — | EP | disclosed |