Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 SCHEMBL29217832 | 0.81 | — | — | |
| SCHEMBL28755318 | 0.80 | — | — | |
| SCHEMBL3201610 | 0.72 | — | — | |
| SCHEMBL27952661 | 0.70 | — | — | |
| SCHEMBL27999520 | 0.69 | — | — | |
| SCHEMBL28318827 | 0.68 | BCHE (0.32) | — | |
| SCHEMBL28318813 | 0.68 | GPR35 (0.36) | ALDH1A1TSHRTDP1GPR35 | |
| SCHEMBL27969689 | 0.66 | — | — | |
| SCHEMBL27755661 | 0.65 | CYP2A6 (0.34) | CYP3A4 | |
| SCHEMBL4396632 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114573826-B | Two-dimensional metal organic framework based on isocyano coordination, preparation method and application | 上海交通大学 | 2022-12-27 | — | — | CN | disclosed |
| CN-114573826-A | Two-dimensional metal organic framework based on isocyano coordination, preparation method and application | 上海交通大学 | 2022-06-03 | — | — | CN | disclosed |