Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27183172 | 0.84 | ADAMTS4 (0.45) | ALDH1A1SMN1; SMN2NPC1RAB9ATDP1 | |
| SCHEMBL28023029 | 0.79 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2NPC1RAB9ATDP1 | |
| SCHEMBL6203345 | 0.78 | ALDH1A1 (0.74) | ALDH1A1SMN1; SMN2NPC1RAB9ATDP1 | |
| SCHEMBL2598225 | 0.76 | TSHR (0.59) | ALDH1A1SMN1; SMN2NPC1RAB9ATDP1 | |
| SCHEMBL16274031 | 0.76 | TSHR (0.59) | ALDH1A1SMN1; SMN2NPC1RAB9ATDP1 | |
| SCHEMBL9045038 | 0.76 | PSIP1 (0.45) | SMN1; SMN2TSHRHSD11B1KDM4EPOLB | |
| SCHEMBL30008011 | 0.76 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2NPC1RAB9ATDP1 | |
| SCHEMBL9799560 | 0.75 | TSHR (0.63) | ALDH1A1SMN1; SMN2NPC1RAB9ATDP1 | |
| SCHEMBL2026026 | 0.75 | TSHR (0.63) | ALDH1A1SMN1; SMN2NPC1RAB9ATDP1 | |
| SCHEMBL28138745 | 0.74 | LARS1 (0.45) | SMN1; SMN2TSHRLMNAHSD11B1 |
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-115197108-A | Preparation method of gamma-ketosulfone compound | 南华大学 | 2022-10-18 | — | — | CN | disclosed |