Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.59 |
| ▸ | WNT3A | P56704 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | CA4 | P22748 | 1/20 | 0.58 |
| ▸ | CA6 | P23280 | 1/20 | 0.58 |
| ▸ | CA7 | P43166 | 1/20 | 0.58 |
| ▸ | TPMT | P51580 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11045658 | 1.00 | PDE4D (0.62) | PDE4DMAPTTSHRCTNNB1WNT3A | |
| SCHEMBL2441538 | 0.91 | PDE4D (0.57) | PDE4DMAPTTSHRCTNNB1WNT3A | |
| SCHEMBL17394788 | 0.87 | SLC22A6 (0.62) | PDE4DCYP1A2GAAMEN1KMT2A | |
| SCHEMBL2442687 | 0.87 | PDE4B (0.55) | PDE4DPDE4BGAAPDE4APDE4C | |
| SCHEMBL2438091 | 0.85 | PDE4D (0.53) | PDE4DPDE4B | |
| SCHEMBL2439225 | 0.85 | PDE4D (0.53) | PDE4DCTNNB1WNT3APDE4B | |
| SCHEMBL23782335 | 0.85 | TAS1R3 (0.56) | PDE4DMAPTPDE4BPDE4APDE4C | |
| SCHEMBL5861195 | 0.85 | CA12 (0.57) | PDE4DMAPTTSHRCTNNB1WNT3A | |
| SCHEMBL28520561 | 0.85 | ALDH1A1 (0.63) | PDE4DALDH1A1PDE4BGAASMN1; SMN2 | |
| SCHEMBL7437162 | 0.84 | MAPT (0.50) | PDE4DMAPTTSHRCTNNB1WNT3A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109715617-B | Dimethoxyphenyl-substituted indole compounds as inhibitors of TLR7, TLR8 or TLR9 | 百时美施贵宝公司 | 2022-04-19 | — | — | CN | disclosed |