Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.49 |
| ▸ | NPC1 | O15118 | 7/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL28733935 | 0.79 | GAA (0.46) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL5758347 | 0.79 | RAB9A (0.56) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL28733759 | 0.78 | GAA (0.47) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL2848839 | 0.77 | GAA (0.51) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL28733876 | 0.76 | GAA (0.45) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL25681462 | 0.76 | RAB9A (0.56) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL3191392 | 0.75 | PTGER1 (0.72) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL3436232 | 0.75 | RAB9A (0.55) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL6560539 | 0.74 | RAB9A (0.51) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL1513057 | 0.74 | PTGER1 (0.72) | CYP1A2CYP2C19 |
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-107624112-B | Small molecule inhibitors of lactate dehydrogenase and methods of use thereof | 美国政府健康及人类服务部 | 2022-03-04 | — | — | CN | disclosed |