Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.47 |
| ▸ | GRIA1 | P42261 | 5/20 | 0.45 |
| ▸ | CACNG8 | Q8WXS5 | 2/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | NEK2 | P51955 | 1/20 | 0.39 |
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 SCHEMBL7833215 | 0.99 | PDE3B (0.46) | PDE3BPDE3AGRIA1CACNG8CRBN | |
| SCHEMBL7830814 | 0.81 | NEK2 (0.48) | PDE3BPDE3AGRIA1CACNG8CYP1A2 | |
| Hydrochloric Acid SCHEMBL7833212 | 0.81 | NEK2 (0.48) | PDE3BPDE3AGRIA1CACNG8CYP1A2 | |
| SCHEMBL7821784 | 0.77 | ALDH1A1 (0.42) | CYP11B1CYP11B2ALDH1A1MAPTHTT | |
| SCHEMBL15756771 | 0.70 | DPP4 (0.41) | POLBSMN1; SMN2 | |
| SCHEMBL1741363 | 0.70 | ADORA2A (0.46) | POLBHTT | |
| SCHEMBL17815691 | 0.70 | RIPK1 (0.44) | — | |
| SCHEMBL10711906 | 0.69 | PDE3B (0.68) | PDE3BPDE3AGRIA1CACNG8CRBN | |
| SCHEMBL10659225 | 0.69 | MAPT (0.78) | PDE3BPDE3AGRIA1CACNG8CYP1A2 | |
| SCHEMBL7249955 | 0.69 | IDO1 (0.43) | ALDH1A1MAPTHTTSMN1; SMN2AHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0802914-B1 | ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES | PHARMACIA & UPJOHN SPA (IT) | 2001-06-06 | — | — | EP | claimed |
| EP-0802914-A1 | ARYL AND HETEROARYL PURINE COMPOUNDS | PHARMACIA & UPJOHN S.p.A. (IT) | 1997-10-29 | — | — | EP | claimed |
| WO-1997018212-A1 | ARYL AND HETEROARYL PURINE COMPOUNDS | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-05-22 | — | — | WO | claimed |
| EP-0802914-B1 | ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES | PHARMACIA & UPJOHN SPA (IT) | 2001-06-06 | — | — | EP | disclosed |