Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | MGLL | Q99685 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2353346 | 0.88 | ALDH1A1 (0.54) | CA1MGLLHDAC2NFE2L2ALDH1A1 | |
| SCHEMBL18867944 | 0.84 | — | — | |
| SCHEMBL177888 | 0.84 | — | — | |
| SCHEMBL177889 | 0.84 | — | — | |
| SCHEMBL76158 | 0.84 | CA1 (0.62) | CA1MGLLHDAC2NFE2L2ALDH1A1 | |
| SCHEMBL76159 | 0.84 | CA1 (0.62) | CA1MGLLHDAC2NFE2L2ALDH1A1 | |
| SCHEMBL9171323 | 0.84 | CA1 (0.62) | CA1MGLLHDAC2NFE2L2ALDH1A1 | |
| SCHEMBL11548251 | 0.81 | CA1 (0.60) | CA1MGLLHDAC2NFE2L2ALDH1A1 | |
| SCHEMBL11548255 | 0.81 | CA1 (0.60) | CA1MGLLHDAC2NFE2L2ALDH1A1 | |
| SCHEMBL4004892 | 0.81 | CA1 (0.60) | CA1MGLLHDAC2NFE2L2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023205455-A2 | STORAGE AND DELIVERY OF GASEOUS CHEMICAL REACTANTS IN CHEMICAL PROCESSES USING METAL-ORGANIC FRAMEWORKS | CORNELL UNIVERSITY (US) | 2023-10-26 | — | — | WO | disclosed |