Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | ESRRB | O95718 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17045901 | 0.89 | LMNA (0.46) | ALDH1A1LMNAKDM4ECA12CA7 | |
| SCHEMBL28859853 | 0.83 | CA12 (0.39) | ALDH1A1CA12CA7CA9CA14 | |
| SCHEMBL9325266 | 0.81 | KEAP1 (0.50) | ALDH1A1MAPTTDP1RAB9ASMN1; SMN2 | |
| SCHEMBL17045863 | 0.77 | CA12 (0.49) | ALDH1A1LMNAKDM4ECA12CA7 | |
| SCHEMBL28615361 | 0.76 | TSHR (0.57) | ALDH1A1LMNAKDM4ECA12CA7 | |
| SCHEMBL19385886 | 0.76 | CA12 (0.45) | ALDH1A1LMNAKDM4ECA12CA7 | |
| SCHEMBL19385885 | 0.76 | CA12 (0.45) | ALDH1A1LMNAKDM4ECA12CA7 | |
| SCHEMBL8457781 | 0.76 | KDM4E (0.44) | ALDH1A1LMNAKDM4ECA12CA7 | |
| SCHEMBL20124874 | 0.75 | CA12 (0.47) | ALDH1A1LMNAKDM4ECA12CA7 | |
| SCHEMBL11831924 | 0.75 | CNR2 (0.44) | ALDH1A1LMNAKDM4EMAPTKMT2A |
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-113307753-B | Preparation method of thioether derivative | 华侨大学 | 2023-03-07 | — | — | CN | disclosed |
| CN-113307753-A | Preparation method of thioether derivative | 华侨大学 | 2021-08-27 | — | — | CN | disclosed |