Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 5/20 | 0.74 |
| ▸ | LMNA | P02545 | 2/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.74 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.74 |
| ▸ | ACHE | P22303 | 2/20 | 0.74 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.74 |
| ▸ | ESR1 | P03372 | 1/20 | 0.74 |
| ▸ | MAPT | P10636 | 1/20 | 0.74 |
| ▸ | BLM | P54132 | 1/20 | 0.74 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.69 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.69 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.69 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.69 |
| ▸ | TNF | P01375 | 3/20 | 0.69 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.69 |
| ▸ | USP2 | O75604 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL11496438 | 0.99 | PDE4A (0.72) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL5463102 | 0.91 | PDE4A (0.61) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL11442061 | 0.91 | RXFP1 (0.71) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL11496625 | 0.90 | RXFP1 (0.69) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL11495313 | 0.89 | PDE4A (0.62) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL7802032 | 0.88 | PDE4A (0.88) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL11666281 | 0.86 | ADORA2B (0.65) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL10784646 | 0.86 | PDE4A (0.84) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL9297147 | 0.86 | PDE4A (0.80) | PDE4ALMNACYP1A2NFKB1ACHE | |
| Propentofylline SCHEMBL74602 | 0.85 | PDE4A (1.00) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4289776-A | VASODILATORS, FIBRINOLYTIC | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-09-15 | — | — | US | claimed |
| US-5082845-A | Gastrointestinal | HOECHST JAPAN LIMITED (JP) | 1992-01-21 | — | — | US | disclosed |
| EP-0330031-B1 | THERAPEUTIC AGENTS FOR THE TREATMENT OF PEPTIC ULCER DISEASE | HOECHST JAPAN LIMITED (JP) | 1991-12-11 | — | — | EP | disclosed |
| EP-0330031-A1 | Therapeutic agents for the treatment of peptic ulcer disease | HOECHST JAPAN LIMITED (JP) | 1989-08-30 | — | — | EP | disclosed |
| US-4289776-A | VASODILATORS, FIBRINOLYTIC | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-09-15 | — | — | US | disclosed |