Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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 SCHEMBL10795748 | 0.99 | MEN1 (0.47) | PDE4APDE4BPDE4CPDE4DMEN1 | |
| SCHEMBL11067509 | 0.73 | TSHR (0.50) | PDE4APDE4BPDE4CPDE4DMEN1 | |
| Hydrochloric Acid SCHEMBL10795579 | 0.73 | TSHR (0.49) | PDE4APDE4BPDE4CPDE4DMEN1 | |
| SCHEMBL11802972 | 0.72 | MEN1 (0.54) | MEN1KMT2AALDH1A1LMNACYP1A2 | |
| SCHEMBL9585449 | 0.71 | PDE4A (0.44) | PDE4APDE4BPDE4CPDE4DMEN1 | |
| SCHEMBL11070883 | 0.70 | MEN1 (0.44) | PDE4APDE4BPDE4CPDE4DMEN1 | |
| SCHEMBL10800120 | 0.68 | MEN1 (0.49) | PDE4APDE4BPDE4CPDE4DMEN1 | |
| SCHEMBL11070880 | 0.66 | MEN1 (0.44) | MEN1KMT2AALDH1A1LMNACYP1A2 | |
| SCHEMBL9585798 | 0.65 | CYP2D6 (0.50) | PDE4APDE4BPDE4CPDE4DMEN1 | |
| SCHEMBL10699278 | 0.65 | ALDH1A1 (0.54) | MEN1KMT2AALDH1A1CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4489078-A | Diazaheterocyclopurines used as anti-broncho spasmatics and vasodilators | MEAD JOHNSON & COMPANY (US) | 1984-12-18 | — | — | US | disclosed |
| US-4404380-A | BRONCHODILATORS, MEDIATOR RELEASE INHIBITORS, PHOSPHODIESTERASE INHIBITORS, AND VASODILATORS | MEAD JOHNSON & COMPANY (US) | 1983-09-13 | — | — | US | disclosed |
| US-4366156-A | Antiallergic methods using diazaheterocyclopurines | MEAD JOHNSON & COMPANY (US) | 1982-12-28 | — | — | US | disclosed |
| US-4298734-A | PHOSPHODIESTERASE INHIBITORS, BRONCHODILATORS, PERIPHERAL VASODILATORS | MEAD JOHNSON & COMPANY (US) | 1981-11-03 | — | — | US | disclosed |