Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | CLPP | Q16740 | 2/20 | 0.36 |
| ▸ | PDE9A | O76083 | 2/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
| ▸ | BCAT2 | O15382 | 2/20 | 0.32 |
| ▸ | PTGIR | P43119 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10795455 | 0.83 | TSHR (0.44) | TSHRCLPPPDE9AHRH4ADRA2A | |
| SCHEMBL10795703 | 0.77 | TSHR (0.56) | TSHRCLPPHTTCYP3A4SMN1; SMN2 | |
| SCHEMBL10797980 | 0.77 | TSHR (0.43) | TSHRCLPPPDE9AHRH4ADRA2A | |
| SCHEMBL10801005 | 0.69 | TSHR (0.48) | TSHRCLPPHTTCYP3A4SMN1; SMN2 | |
| SCHEMBL10800663 | 0.68 | GAA (0.51) | TSHRCLPPHTTCYP3A4SMN1; SMN2 | |
| SCHEMBL10796109 | 0.65 | TSHR (0.48) | TSHRCLPPHTTCYP3A4SMN1; SMN2 | |
| SCHEMBL10798404 | 0.64 | TSHR (0.38) | TSHRCLPPHTTCYP2C9CNR1 | |
| SCHEMBL10798398 | 0.64 | TSHR (0.38) | TSHRCLPPHTTCYP2C9CNR1 | |
| SCHEMBL10800858 | 0.62 | TSHR (0.33) | TSHRCYP3A4SMN1; SMN2HIF1A | |
| SCHEMBL11845293 | 0.61 | TSHR (1.00) | TSHRHTTTP53DRD2 |
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 |