Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 5/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.62 |
| ▸ | ACHE | P22303 | 2/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.62 |
| ▸ | ESR1 | P03372 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | BLM | P54132 | 1/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | TNF | P01375 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11609319 | 1.00 | PDE4A (0.62) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL11613504 | 1.00 | PDE4A (0.62) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL11614003 | 1.00 | PDE4A (0.62) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL11612265 | 0.99 | PDE4A (0.64) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL10788514 | 0.98 | PDE4A (0.62) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL11611955 | 0.98 | PDE4A (0.62) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL4345194 | 0.94 | PDE4A (0.64) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL7989435 | 0.94 | PDE4A (0.70) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL8697424 | 0.94 | PDE4A (0.70) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL5256903 | 0.94 | PDE4A (0.70) | PDE4ALMNACYP1A2NFKB1ACHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4108995-A | CEREBRAL BLOOD FLOW | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-08-22 | — | — | US | disclosed |