Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 13/20 | 0.84 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.84 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.84 |
| ▸ | LMNA | P02545 | 2/20 | 0.84 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.84 |
| ▸ | ACHE | P22303 | 2/20 | 0.84 |
| ▸ | BLM | P54132 | 2/20 | 0.84 |
| ▸ | ESR1 | P03372 | 1/20 | 0.84 |
| ▸ | MAPT | P10636 | 1/20 | 0.84 |
| ▸ | PDE4B | Q07343 | 12/20 | 0.70 |
| ▸ | PDE4C | Q08493 | 12/20 | 0.70 |
| ▸ | PDE4D | Q08499 | 12/20 | 0.70 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.68 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.68 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | TNF | P01375 | 2/20 | 0.61 |
| ▸ | USP2 | O75604 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL7802893 | 0.96 | PDE4A (0.83) | PDE4ACYP1A2PMP22LMNANFKB1 | |
| SCHEMBL7793146 | 0.95 | PDE4A (0.81) | PDE4ACYP1A2PMP22LMNANFKB1 | |
| SCHEMBL10873386 | 0.93 | PDE4A (0.77) | PDE4ACYP1A2PMP22LMNANFKB1 | |
| Propentofylline SCHEMBL74602 | 0.92 | PDE4A (1.00) | PDE4ACYP1A2PMP22LMNANFKB1 | |
| SCHEMBL7802154 | 0.92 | PDE4A (0.75) | PDE4ACYP1A2PMP22LMNANFKB1 | |
| SCHEMBL7800905 | 0.91 | PDE4A (0.98) | PDE4ACYP1A2PMP22LMNANFKB1 | |
| SCHEMBL7800770 | 0.90 | PDE4A (0.76) | PDE4ACYP1A2PMP22LMNANFKB1 | |
| SCHEMBL7800864 | 0.89 | PDE4A (0.91) | PDE4ACYP1A2PMP22LMNANFKB1 | |
| SCHEMBL27534112 | 0.89 | PDE4A (0.68) | PDE4ACYP1A2PMP22LMNANFKB1 | |
| SCHEMBL11456819 | 0.89 | PDE4A (0.77) | PDE4ACYP1A2PMP22LMNANFKB1 |
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-0811623-B1 | Xanthine derivatives with end-aminated alkynol side chains | HOECHST AG (DE) | 2001-04-04 | — | — | EP | disclosed |
| US-5965555-A | TREATMENT AND/OR PROPHYLAXIS OF CEREBROVASCULAR DISORDERS CHARACTERIZED BY DAMAGE CAUSED BY ISCHEMIA AND SUBSEQUENT NECROTIC DESTRUCTION OF NERVE CELLS(NEURONS) | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-10-12 | — | — | US | disclosed |
| EP-0811623-A1 | Xanthine derivatives with end-aminated alkynol side chains | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-12-10 | — | — | EP | disclosed |