Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.51 |
| ▸ | MAPT | P10636 | 8/20 | 0.51 |
| ▸ | HPGD | P15428 | 8/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11900411 | 0.88 | ALDH1A1 (0.47) | ALDH1A1MAPTHPGDRAB9AKMT2A | |
| SCHEMBL25190853 | 0.83 | GSK3B (0.47) | ALDH1A1MAPTHPGDKMT2AGAA | |
| SCHEMBL3547148 | 0.83 | CA12 (0.56) | ALDH1A1MAPTHPGDKMT2AMEN1 | |
| SCHEMBL523320 | 0.82 | KDM4E (0.62) | ALDH1A1MAPTHPGDKMT2AGAA | |
| SCHEMBL16959889 | 0.79 | ALDH1A1 (0.50) | ALDH1A1MAPTHPGDRAB9AKMT2A | |
| SCHEMBL30221008 | 0.79 | HTT (0.59) | ALDH1A1MAPTHPGDRAB9AKMT2A | |
| SCHEMBL1482927 | 0.79 | HTT (0.59) | ALDH1A1MAPTHPGDRAB9AKMT2A | |
| SCHEMBL838252 | 0.79 | KDM4E (0.50) | ALDH1A1MAPTHPGDRAB9AKMT2A | |
| SCHEMBL31073598 | 0.79 | MAPT (0.60) | ALDH1A1MAPTHPGDRAB9AKMT2A | |
| SCHEMBL1483528 | 0.78 | MAPT (0.59) | ALDH1A1MAPTHPGDKMT2AGAA |
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-107235960-B | Amide derivatives, preparation method and medical application thereof | 浙江海正药业股份有限公司 | 2021-01-29 | — | — | CN | disclosed |