Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | PDE4A | P27815 | 3/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | CLPP | Q16740 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | GPR132 | Q9UNW8 | 2/20 | 0.33 |
| ▸ | MDM4 | O15151 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10798553 | 0.71 | TSHR (0.56) | TSHRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL11067509 | 0.71 | TSHR (0.50) | TSHRPDE4APDE4BPDE4CPDE4D | |
| Hydrochloric Acid SCHEMBL10795579 | 0.70 | TSHR (0.49) | TSHRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10795455 | 0.70 | TSHR (0.44) | TSHRCLPPHTTCYP3A4SMN1; SMN2 | |
| SCHEMBL10795586 | 0.70 | TSHR (0.57) | TSHRCLPPHTTCYP3A4SMN1; SMN2 | |
| SCHEMBL10798368 | 0.69 | TSHR (0.44) | TSHRCLPPHTTCYP3A4SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11069993 | 0.69 | TSHR (0.56) | TSHRCLPPHTTCYP3A4SMN1; SMN2 | |
| SCHEMBL10797980 | 0.69 | TSHR (0.43) | TSHRCLPPHTTLMNATP53 | |
| SCHEMBL10798396 | 0.68 | TSHR (0.55) | TSHRCLPPHTTCYP3A4SMN1; SMN2 | |
| SCHEMBL11396342 | 0.68 | TSHR (0.55) | TSHRPDE4ACLPPHTTCYP3A4 |
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-4642345-A | BRONCHODILATOR AGENTS | MEAD JOHNSON & COMPANY (US) | 1987-02-10 | — | — | US | disclosed |
| 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 |